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Abstract Monitoring the concentration of Fludarabine phosphate, a standard chemotherapeutic drug widely used in cancer treatment, is vital for ensuring the drug’s safety and effectiveness, tailoring treatments to individual needs, and consequently improving overall patient outcomes. Regarding the limitations of conventional techniques in terms of complexity, large time measurements, and a high cost, there is an urgent need to develop simple, rapid, and cost-effective devices. In this paper, we report the design of an aptasensor for the specific and selective detection of Fludarabine. Systematic evolution of ligands by exponential enrichment (SELEX) protocol was performed to select a specific aptamer for Fludarabine. Eleven rounds were carried out, and nine sequences were selected. Based on the dissociation constant (Kd), Ful-3, exhibiting the highest affinity (18.86 nM), was chosen and integrated into a simple electrochemical aptasensing platform for Fludarabine detection. Electrochemical results demonstrated good performance of the selected aptamer in detecting Fludarabine within the analytical range of 1 to 150 pg/mL and with LOD and LOQ in the order of 0.11 pg/mL (0.31 fM) and 0.39 pg/mL (1.06 fM), respectively. The developed platform also showed good selectivity against different analogous molecules and high applicability in serum-spiked samples, with recovery percentages ranging from 96.81 to 99.04%. Considering the encouraging results, this research presents an excellent alternative in terms of simplicity, stability, ease of use, reduction of sample volume, and low cost.

Abstract Kimchi is a Korean traditional vegetable fermented food with lactic acid bacteria (LAB). Fermented kimchi contains live LAB (probiotics), dietary fibers (prebiotics) and dead LAB and fermented metabolites (postbiotics), and it may have various health benefits. The taste and functionalities of kimchi are dependent on its main ingredients and subingredients, fermentation conditions, LAB in the fermentation, etc. There are many types of kimchi, but Baechu kimchi is the most popular and commonly used kimchi in Korea. Baechu kimchi is prepared by LAB fermentation of Baechu cabbage mixed with other subingredients such as radish, green onion, red pepper powder, garlic, ginger and fermented small sea fishes. Kimchi contains high levels of vitamins, minerals, dietary fibers and other functional components and fermented metabolites. Various studies have reported on kimchi and its antimutagenic and anticancer, antioxidative and antiaging, antiatherosclerotic, antidiabetic, antiobesity, and anti-inflammatory effects. Fermented kimchi contains high levels of LAB (108–9 CFU/g) and LAB also contribute functionalities to kimchi. We will discuss the process of manufacturing kimchi, fermentation of kimchi and related microorganisms. Though it briefly discuss on the general functionalities of kimchi, we will focus on the history and functions of the antiobesity, anticancer, and anti-inflammatory effects of kimchi in detail with better taste and preservation period. To increase the antiobesity and anticancer functions of kimchi we will introduce kimchi recipes, salt kinds, other added ingredients, etc. It was finally discussed on postbiotics in kimchi and their health benefits.

Background: Tea (Camellia sinensis) has a rich history and is widely consumed across many countries, and is categorized into green tea, white tea, oolong tea, yellow tea, black tea, and dark tea based on the level of fermentation. Based on a review of previous literature, the commonly recognized bioactive substances in tea include tea polyphenols, amino acids, polysaccharides, alkaloids, terpenoids, macro minerals, trace elements, and vitamins, which have been known to have various potential health benefits, such as anticancer, antioxidant, anti-inflammatory, anti-diabetes, and anti-obesity properties, cardiovascular protection, immune regulation, and control of the intestinal microbiota. Most studies have only pointed out the characteristics of tea’s bioactivities, so a comprehensive summary of the pharmacological characteristics and mechanisms of tea’s bioactivities and their use risks are vital. Aim of Review: This paper aims to summarize tea's bioactive substances of tea and their pharmacological characteristics and mechanisms, providing a scientific basis for the application of bioactive substances in tea and outlining future research directions for the study of bioactive substances in tea. Key Scientific Concepts of Review: This review summarizes the main biologically active substances, pharmacological effects, and mechanisms and discusses the potential risks. It may help researchers grasp more comprehensive progress in the study of tea bioactive substances to further promote the application of tea as a natural bioactive substance in the medical field.

Background: Cervical cancer is a severe concern for women throughout the world. This percentage of cancer incidence causes sufferers to die at a high rate. It is believed that the bark of the Pinus merkusii tree contains anti-cancer compounds that inhibit cervical cancer cell growth. Aim: This present study aims to examine the cytotoxic ability of P. merkusii tree bark ethanol extract (PMBE) by inducing apoptosis in HeLa cells. Methods: We administered the PMBE at concentrations of 50, 100, 200, and 400 µg/mL to HeLa cell cultures. We then conducted the MTT cytotoxicity assay, detected apoptosis via Annexin V binding, and observed caspase 9 expression via immunocytochemistry. Results: PMBE showed cytotoxic activity on HeLa cells with an IC50 of 226.6 µg/mL for 24 hours of treatment. PMBE caused early apoptosis in up to 81.31% of HeLa cells, as well as increased caspase-9 expression. Conclusion: Based on this study, PMBE is predicted to have dose-dependent antiproliferative or cytotoxicity effects on the HeLa cell line through the intrinsic pathway apoptosis mechanism. [Open Vet J 2024; 14(10.000): 2628-2633]

Objective: To evaluate the anticancer potential of Cymbopogon citratus extract. Methods: GC-MS analysis was used to identify phytocomponents in the methanolic extract of Cymbopogon citratus. A fractionation method was employed to isolate and assess the bioactivity of different fractions and their cytotoxic activities against cancer cell lines HCT116, LoVo, Caco-2, and HT-29 were investigated. A dual staining method with acridine orange and ethidium bromide was used to assess the effect of the extract on cell apoptosis. Additionally, the expression levels of Bax and TP53 were quantified using realtime PCR in Caco-2 cells treated with the ethyl acetate fraction of Cymbopogon citratus extract. A protein array was employed to profile key pro- and anti-apoptotic proteins in Caco-2 cells. Moreover, molecular docking studies were conducted to investigate the interactions between key compounds of Cymbopogon citratus extract and specific apoptosis-related protein domains (PDB IDs: 7wql and 4bkx). Results: A significant growth inhibition was observed in Caco-2 cells treated with Cymbopogon citratus extract. Among the seven fractions of the plant extract, the ethyl acetate fraction showed the highest cytotoxicity against Caco-2 cells with an IC50 value of (6.16 ± 0.01) μg/mL. The immunofluorescence assay showed that the ethyl acetate fraction could induce apoptosis of Caco-2 cells. Moreover, the fraction upregulated the gene expressions of Bax and TP53 in a dose-dependent manner. The docking analysis demonstrated the interaction of five compounds isolated from the ethyl acetate fraction with key proteins in Caco-2 cells, indicating their anticancer properties. Conclusions: Cymbopogon citratus extract shows anticancer activity against Caco-2 cells by inducing apoptosis. It may be a promising candidate for the treatment of colon cancer, which needs further investigation.

Euphorbia dracunculoides Lam. possesses significant biological potential due to its rich bioactive compounds. To enhance this potential, zinc oxide nanoparticles (ZnO NPs) were synthesized using the methanolic extract of E. dracunculoides, exploiting ZnO NPs’ superior physiochemical properties and bioavailability. The synthesis of ZnO NPs was confirmed through UV–Vis spectroscopy (with an absorption maximum at 368 nm), X-ray diffraction (crystalline nature), Fourier transform infrared spectroscopy (functional groups involved in Zn²⁺ reduction), scanning electron microscopy (rod-shaped and triangular morphologies, average size 79 nm), and EDX (presence of Zn and O). The ED-ZnO NPs exhibited dose-dependent cytotoxicity against U87 cells (IC50: 229.51 µg·mL−1) and anti-leishmanial activity against Leishmania tropica promastigotes (IC50: 9.11 µg·mL−1). Additionally, in vivo studies demonstrated significant antihyperlipidemic effects, with decreased cholesterol, triglyceride, and low-density lipoprotein levels, and increased high-density lipoprotein levels. ED-ZnO NPs also normalized alkaline phosphatase, alanine transaminase, aspartate transaminase, total bilirubin, creatinine, urea, and glucose levels compared to controls. Overall, ED-ZnO NPs effectively enhance the bioactive compounds’ efficacy in treating various disorders.

Abstract Scorpion venom may include pharmacological substances that have the potential to provide benefits. Multiple scientific investigations have shown that particular scorpion venoms induce apoptosis and inhibit the development of cancerous cells. The present study investigated the potential anticancer properties of the crude venom derived from Hottentotta saulcyi (H. saulcyi) on both in vivo mice models and in vitro breast carcinoma cells. The venom of scorpions belonging to the species H. saulcyi was obtained with the application of electrical stimulation at voltages of 8 and 10 V. The determination of the Average Lethal Dose 50 (LD50) was conducted. The present work assessed the in vitro cytotoxicity and morphological characteristics of H. saulcyi venom using fluorescence microscopy, MTT assay, and flow cytometry assessment. Additionally, research was performed to assess the cytotoxic effects in vivo on a mouse model with breast cancer. The examination of MCF-7 cells treated with scorpion venom at a microscopic level revealed the existence of cells undergoing apoptosis. The venom of H. saulcyi has anticancer properties, as shown by the observation that MCF-7 cells had a 62.12% apoptotic rate when exposed to a dose of 1.47 mg/L. Based on the results obtained, it can be shown that the viability of MCF-7 cells has exhibited a substantial reduction (P

Introduction: Pharmaceutical formulation of nanoparticles is widely used due to achieving targeted and stable drug release, improving drug solubility and reducing side drug reactions. One of the ways to improve the survival of cancer patients is the treatment using nanocarriers for anticancer drugs. The aim of this study was to synthesize encapsulated nisomes containing the extract of the Artemisia annua and investigate the anticancer and apoptotic effects against breast cancer cell lines. Methods: In this study, a Niosomes nanocarrier was made and then the extract of Gondwash herb was loaded into it. Its physical and chemical properties were confirmed using SEM, dynamic light scattering (DLS) and zeta potential. Likewise, the encapsulation percentage and release pattern of the extract were investigated. Finally, its anticancer effects against the breast cancer cell line (MCF_7) were investigated and the expression level of apoptotic genes Caspase3 and Caspase9 was studied using Real Time PCR method. At the end, statistical analysis was done by GraphPad Prism software, and cytotoxicity and gene expression data were analyzed by one-way analysis of variance. Results: The findings showed that the synthesized nanocarrier newsom containing the extract had a spherical structure and its size was 208.1 nanometers, the encapsulation percentage was 62.35% and the surface charge was 22.5. Similarly, newsome nanocarrier containing the extract had significant anticancer effects compared to the free extract and increased the expression of caspase 3 and caspase 9 genes by 1.184 ± 0.34 (P

Abstract In this study, the anticancer effect of doenjang according to the type of salt was investigated. Three samples were prepared: doenjang made with purified salt, doenjang made with generally manufactured solar salt, and doenjang made with washed and dehydrated solar salt (WDSD). In mice in which colon cancer was induced with azoxymethane/dextran sodium sulfate, doenjang made with solar salt, especially doenjang made with washed and dehydrated solar salt, was found to have a much higher colon cancer inhibition effect. WDSD significantly promoted the mRNA expression of apoptosis-related factors such as Bcl-2–associated X protein (Bax) and caspase 9 and the cell cycle arrest-related factors p53 and p21, and conversely significantly reduced the mRNA expression of apoptosis inhibitors such as B-cell lymphoma-2 (Bcl-2) (p

Benzothiazole is an amazing small molecule involved in many applications in industrial and pharmaceutical industries to prepare many candidate compounds as effective drugs. In this study, we presented some derivatives of this compound that were prepared easily and quickly with the help of microwaves to minimize time, energy, and finances. The compounds’ cytotoxicity against the two cell lines SK-GT-4 and AMGM5 was examined. The cytotoxic effect of each compound at different concentrations was measured using the MTT assay. Compounds exhibited no potent cytotoxic effects toward the SK-GT-4 cell line. Compounds B1 and B2 had a high IC50 value and good growth inhibition activity against the AMGM5 cell line. According to in silico absorption, distribution, metabolism, and excretion analysis (ADME) prediction studies, the compounds B1, B2, and B3 met Lipinski and were drug-like in most physicochemical parameters. Despite some violations, generally favorable pharmacokinetic properties. It is also assumed that it can potentially become a drug candidate in the future. Various electronic parameters were examined using DFT/WB97XD/6-31++G(d,p), and studies were conducted to support the experimental findings. To estimate the binding modes of compounds B1 and B5, we also performed in silico molecular docking studies.

Jujube (Ziziphus jujuba) fruit has been routinely used as a food, additive, and flavoring agent for thousands of years due to its rich nutritional contents. Mounting evidence proves the therapeutic benefits of Ziziphus jujuba, including anticancer, anti-inflammatory, antiobesity, antioxidant, immune-stimulating, neuroprotective, and hepato- and gastro-protective properties, which are due to its main biologically active components: phenolics, triterpenic acids, flavonoids, α-tocopherol, β-carotene, cerebrosides, and polysaccharides. It is also used in conventional health care, for treating anorexia, fatigue, and diarrhea. Therefore, a deep focus on clinical studies and the phytochemical definition of jujube fruits will be critical for following research efforts. The current work aimed to cover all existing in vitro and in vivo discoveries linked to the therapeutically beneficial effects of Z. jujuba bioactive substances and the underlying molecular mechanisms. To write this review, the data were collected from valid scientific databases, including Science Direct, PubMed, Scopus, and Google Scholar (2014-2024). These findings could provide several lines of evidence for the medicinal uses of jujube as supplementary products for the prevention or treatment of several diseases such as cancer and other immune disorders.

Introduction: Osteosarcoma (OS) is a rare and aggressive form of bone cancer that primarily affects the long bones of the body, such as the arms and legs. It is characterized by the uncontrolled growth of malignant cells in the bone tissue, leading to the formation of abnormal and painful bone masses. Steviol glycosides have been widely used as natural noncalorie sweeteners and are the collective name of the sweet substances found naturally in the plant Stevia rebaudiana, which is commonly called Stevia. Our study aimed to analyze the anticancer activity of Stevioside in OS. Materials and Methods: Stevioside was applied to OS cells, and the levels of Bcl xL, Bcl-2, and Bax were then estimated. The results of three separate studies, each carried out in triplicate, were expressed as the mean ± standard errors of the mean (SEM). One-way ANOVA was used for statistical analysis. Results: The findings showed that the effect of Stevioside on sarcoma osteogenic cells with mean ± SEM as 0.74 ± 0.05, 0.69 ± 0.09, 0.46 ± 0.09 for Bcl-xL gene, 0.98 ± 0.06, 0.58 ± 0.07, 0.5 ± 0.07 for Bcl-2 gene, and 1.2 ± 0.08, 1.45 ± 0.11, 1.67 ± 0.12 for Bax gene, respectively, when treated with untreated control cells. Conclusion: The study concludes its action against bone OS cells was significant with apoptotic induction. Stevia has a wide range of health benefits as well as being a plant-based diet it has less of side effects and promoting features even by intaking it daily along with other medicines.

Abstract Metal and metal oxide nanocomposites have unique properties and are promising for antibacterial and anticancer applications. In this work, we aimed to highlight the relationship between the biosynthesis ways of silver and gold-doped zinc oxide nanocomposites and their functions as anticancer on cell lines (MCF-7 and HepG2). The propolis was used to biosynthesize four different nanoparticles with the same components, including zinc, gold and silver. The nanocomposites were characterized using various techniques, including ultraviolet–visible spectroscopy (UV–Vis), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Energy Dispersive X-ray analysis (EDX) and cytotoxicity assays. The result of this study showed that formed nanocomposites have a similar level of Zn, Au, and Ag, ranging from 23–34%, 2–6%, and 2–3%, respectively. In addition, adding the components simultaneously produces the fastest color change, and the fabricated nanoparticles have spherical shapes with different layers. In addition, the prepared nanoparticles influenced the cell viability of the cancer cell lines, with the most effective one when Zn, Au, and Ag were added spontaneously to form a nanocomposite called (All) with IC50 of 24.5 µg/mL for MCF7 cells and 29.1 µg/mL for HepG2 cells. Thus, the study illustrates that the preparation of nanocomposite generated through green synthesis with different methods significantly affects the structure and function and may improve the synthesis of nanocomposite to be developed into an efficacious therapeutic agent for cancers. In addition, this study opens the door toward a novel track in the field of nanocomposites as it links the synthesis with structure and function. Further anti-cancer properties, as well as animal testing are needed for those nanocomposites.

Abstract A novel core–shell nanocarrier system has been designed for co-delivery of a small anticancer drug, docetaxel (DTX) and tumor suppressor (TS) miR-34a named as Exo(PAN34a+DTX). The core is formed by pH dependent polyamine salt aggregates (PSA) containing both the payloads and the shell is formed by RAW 264.7 cell derived exosomal fragments. Herein, phosphate driven polyallylamine hydrochloride (PAH, MW:17,500 Da) PSA was formed in presence of miR-34a and DTX to form PAN34a+DTX. The formulation exhibited pH dependent DTX release with only 33.55 ± 2.12% DTX release at pH 7.2 and 75.21 ± 1.8% DTX release till 144 h at pH 5.5. At 1.21 molar ratio of phosphate to the amine (known as R value), efficient complexation of miR-34a (3.6 μM) in the PAN particles was obtained. PAN34a+DTX demonstrated particle size (163.86 ± 12.89 nm) and zeta-potential value of 17.53 ± 5.10 mV which upon exosomal fragment layering changed to − 7.23 ± 2.75 mV which is similar to the zeta-potential of the exosomal fragments, i.e., − 8.40 ± 1.79 mV. The final formulation Exo(PAN34a+DTX), loaded with 40 ng/mL DTX and 50 nM miR-34a exhibited 48.20 ± 4.59% cytotoxicity in triple negative breast cancer (TNBC) cells, 4T1. Co-localization of CM-DiI (red fluorescence) stained exosomal fragments and FAM-siRNA (green fluorescence) in the cytoplasm of 4T1 cells after 6 h of Exo(PANFAM) treatment confirmed the efficiency of the designed system to co-deliver two actives. Exo(PAN34a+DTX) also reduced BCL-2 expression (target gene for miR-34a) by 8.98 folds in comparison to free DTX confirming promising co-delivery and apoptosis inducing effect of Exo(PAN34a+DTX) in 4T1.

Abstract Triple Negative Breast Cancer (TNBC) is a highly aggressive and treatment-resistant subtype of breast cancer, lacking the expression of estrogen, progesterone, and HER2 receptors. Conventional chemotherapy remains the primary treatment option, but its efficacy is often compromised by the development of drug resistance. Nanoquercetin has garnered the attention of researchers due to its potential in combating cancer. This antioxidant exhibits significant efficacy against various types of cancer, including blood, breast, pancreatic, prostate, colon, and oral cancers. Functioning as a potential anti-cancer agent, nanoquercetin impedes the development and proliferation of cancer cells, induces apoptosis and autophagy, and prevents cancer cell invasion and metastasis. Numerous processes, such as the inhibition of pathways linked to angiogenesis, inflammation, and cell survival, are responsible for these anticancer actions. Moreover, it shields DNA from degradation caused by radiation and other carcinogens. The cost-effectiveness of current cancer treatments remains a significant challenge in healthcare, imposing a substantial economic burden on societies worldwide. Preclinical studies and early-phase clinical trials indicate that nanoquercetin-based therapies could offer a significant advancement in the management of TNBC, providing a foundation for future research and clinical application in overcoming drug resistance and improving patient outcomes. This article examines the latest data on nanoquercetin’s potent anti-cancer properties and interprets the accumulated research findings within the framework of preventive, predictive, and personalized (3P) medicine. Graphical Abstract

Pallab Kar,1,2 Ayodeji O Oriola,2 Adebola O Oyedeji1,2 1African Medicinal Flora and Fauna Research Niche, Walter Sisulu University, Mthatha, 5117, South Africa; 2Department of Chemical and Physical Sciences, Walter Sisulu University, Mthatha, 5117, South AfricaCorrespondence: Pallab Kar; Adebola O Oyedeji, Email pallabkar.bio@gmail.com; aoyedeji@wsu.ac.zaBackground: The Surinam cherry, Eugenia uniflora belongs to the family Myrtaceae, an edible fruit-bearing medicinal plant with various biological properties. Several anticancer studies have been conducted on its essential oils while the non-essential oil compounds including phenolics, flavonoids, and carotenoids have not been fully investigated.Purpose: Therefore, the study evaluated the in silico anticancer potentials of phenolic, flavonoid, and carotenoid compounds of E. uniflora against the MDM2 and Bcl-xL proteins, which are known to promote cancer cell growth and malignancy. The physicochemical parameters, validation, cytotoxicity, and mutagenicity of the polyphenols were determined using the SwissADME, pkCSM, ProTox-II, and vNN-ADMET online servers respectively. Lastly, the promising phytocompounds were validated using molecular dynamics (MD) simulation.Results: An extensive literature search resulted in the compilation of forty-four (44) polyphenols from E. uniflora. Top-rank among the screened polyphenols is galloylastragalin, which exhibited a binding energy score of − 8.7 and − 8.5 kcal/mol with the hydrophobic interactions (Ala93, Val141) and (Leu54, Val93, Ile99), as well as hydrogen bond interactions (Tyr195) and (Gln72) of the proteins Bcl-xL and MDM2 respectively. A complete in silico toxicity assessment revealed that the compounds, galloylastragalin, followed by myricetin, resveratrol, p-Coumaroylquinic acid, and cyanidin-3-O-glucoside, were potentially non-mutagenic, non-carcinogenic, non-cytotoxic, and non-hepatotoxic. During the 120 ns MD simulations, the RMSF analysis of galloylastragalin- MDM2 (complex 1) and galloylastragalin- Bcl-xL (complex 2) showed the fewest fluctuations, indicating the conformational stability of the respective complexes.Conclusion: This study has shown that polyphenol compounds of E. uniflora led by galloylastragalin, are potent inhibitors of the MDM2 and Bcl-xL cancer proteins. Thus, they may be considered as candidate polyphenols for further anticancer studies.Keywords: Eugenia uniflora, anticancer, in silico molecular docking, in silico toxicity, molecular dynamics simulation, polyphenols, galloylastragalin

Abstract Head and neck squamous cell carcinoma (HNSCC) present a significant challenge due to its heterogeneity and limited treatment options, often resulting in severe side effects and poor survival rates with conventional chemoradiotherapy. Here, we investigated the anticancer activity of halogenated benzoate derivatives of cleistanthin A, ECDD-S16 and ECDD-S18, in HNSCC cells. Our findings revealed that ECDD-S18 exhibited remarkable cytotoxicity, surpassing that of cisplatin with minimal impact on normal and cisplatin-sensitive cells. Notably, ECDD-S18 induced apoptosis in a dose-dependent manner and effectively targeted vacuolar ATPase (V-ATPase), impairing lysosomal acidification. Intriguingly, ECDD-S18 inhibited autophagic flux, as evidenced by increased autophagosome but decreased autolysosome formation. Furthermore, proteomic analysis demonstrated downregulation of cathepsin D (CTSD), the lysosomal protease in ECDD-S18-treated HNSCC cells, concurrent with suppressed cell migration. ECDD-S18 also decreased expression of mesenchymal markers, suggesting inhibition of epithelial-mesenchymal transition (EMT). Importantly, cotreatment with ECDD-S18 and cisplatin enhanced the reduction in cell viability. Collectively, our results indicated that the anticancer activity of ECDD-S18 partly stems from its ability to disrupt lysosomal acidification and inhibit autophagy via targeted inhibition of V-ATPase. These findings underscore the therapeutic promise of ECDD-S18 in HNSCC treatment, either alone or in combination with existing drugs, while mitigating toxicity to normal cells.

Abstract Marine invertebrates represent an underexplored reservoir for actinobacteria, which are known to synthesize novel bioactive compounds. This study isolated 37 actinobacterial strains from five distinct marine invertebrate hosts, namely Chondrilla australiensis, Palythoa sp., Favia sp., Porites lutea, and Acropora cervicornis, while no strains were obtained from Lissoclinum sp. and Lithophyllon sp. These isolates were taxonomically classified into six genera: Gordonia, Microbacterium, Micromonospora, Nocardia, Rhodococcus, and Streptomyces, with Streptomyces and Micromonospora being notably predominant. Comparative genomic analysis facilitated the identification of two novel species: Micromonospora palythoicola sp. nov. (strain S2-005T = TBRC 18343T and NBRC 116545T) and Streptomyces poriticola sp. nov. (strain C6-003T, =TBRC 17807T and NBRC 116425T). Both species exhibited substantial genetic differences from their nearest known species as demonstrated by digital DNA-DNA hybridization and average nucleotide identity scores, which fell below the thresholds of 70% and 95%, respectively. Streptomyces poriticola C6-003T displayed significant antimicrobial activity and selective cytotoxicity against human breast cancer MCF-7 cells, with reduced toxicity towards human dermal papilla cells. Micromonospora palythoicola S2-005T manifested antimicrobial properties against Streptococcus mutans and Kocuria rhizophila. These findings highlight the considerable diversity of actinobacteria within marine invertebrates and underscore their potential as a source of new species with promising biological properties for therapeutic applications.

Abstract Ephedra alata Decne is a medicinal plant widely used in traditional medicine for the management of bronchial asthma and cancer. Phytochemical analysis and biological activities, including antioxidant and anticancer effects, were investigated in the current work as new findings for the plant E. alata, a species growing wildly in the marsh and saline environments of the central area of Saudi Arabia. The Ultra Pressure Liquid Chromatography coupled with Electron spray ionization-Quadropole-Time of flight (UPLC-ESI-Q-TOF) system was used for the phytochemical analysis of the plant constituents. In addition, Polyphenolic profiling including the total phenolic (TPC) and flavonoid (TFC) contents of the plant extracts were measured. Phenolic acids were found at the highest relative percentages among all the identified compounds and were measured at 66.07 mg GAE (Gallic acid equivalent). The UPLC analysis of the E. alata extract indicated the presence of chlorogenic acid, syringic acid, caffeic acid, vanillic acid, rosmarinic acid, umbelliferone, isorhoifolin, and apigenin at the highest relative percentages. Mineral analysis indicated that the microelement content of E. alata was relatively low, except for magnesium (Mg). In vitro antioxidant assays revealed the ability of the plant to scavenge DPPH free radicals, reduced molybdenum ions, and ferrous at levels of 14.63, 19.97, and 27.78 mg Trolox equivalents, respectively. The extract induced transition metal chelation at 31.36 mg EDTA equivalents. The extract induced cytotoxic effects against MDA-231 and A549 cell lines at IC50 levels of 25.31 and 39.81 µg/mL, respectively. The plant extract inhibited the colonization and migration of cancer cells as part of its potential anticancer effects. In addition, major E. alata constituents like isorhoifolin, chlorogenic acid, apigenin, and rosmarinic acid exhibited the lowest binding energy to the CAIX enzyme at − 8.41, − 6.64, − 6.32, and − 6.26 kcal/mol, respectively, compared to the binding energy (− 7.72 kcal/mol) of the co-crystallized ligand (Y0R). The docking results further supported the selection of the CAIX enzyme as a standard predictive therapeutic target, since it exhibited significant binding interactions with the major constituents of the plant.

Velaphi C Thipe,1 Nya Hall,1 Amoolya Pandurangi,2 Samuel Ajayi,3 Prosper Emeh,3 Iti Gauttam,3 Rania Ghamgui,3 Fatima Hameedat,3 Sihem Khelil,3 Nhu Ky Ly,3 Mahmoud Salim,3 Anum Shahid Waleed,3 Prajna Hegde,4 Vrushali Hegde,4 Deepa Prakash,4 Ilaadevi Hegde,4 Kavita Katti,1 Alice Raphael Karikachery,1 Emilie Roger,3,5 Anne Landreau,3,6 Kattesh V Katti1,7,8 1Department of Radiology, University of Missouri, Columbia, MO, 65212, USA; 2Department of Biology, Saint Louis University, St. Louis, MO, 63103, USA; 3Pharmacy School, UNIV Angers, Angers, F-49000, France; 4Kadamba Intrac Private Ltd, Bangalore, KA, 560011, India; 5MINT, INSERM 1066, CNRS 6021, University of Angers, Angers, France; 6Univ Angers, Univ Brest, IRF, SFR ICAT, Angers, F-49000 France; 7Departments of Physics, Medical Pharmacology and Physiology, University of Missouri, Columbia, MO, 65211, USA; 8Department of Biotechnology and Food Technology, University of Johannesburg, Doornfontein, 2028, South AfricaCorrespondence: Kattesh V Katti, Department of RadiologyUniversity of Missouri-ColumbiaOne Hospital Drive, Columbia, Missouri, 65212, USA, Tel +1 573 882 5656, Fax +1 573 884 5679, Email KattiK@health.missouri.eduPurpose: Breast cancer is a significant global health issue, contributing to 15% of cancer-related deaths. Our laboratory has pioneered a novel approach, combining Ayurvedic principles with green nanotechnology, to develop a scientifically rigorous medical modality referred to as Nano-Ayurvedic Medicine, recently approved by the US Patents and Trademarks Office. Here in we report a new Nano-Ayurvedic medicine agent derived from gold nanoparticles encapsulated with phytochemicals from Ginkgo biloba plant (GB-AuNPs).Methods: We have developed biocompatible gold nanoparticles using electron-rich phytochemicals from Ginkgo biloba as reducing agent cocktail. Ginkgo biloba phytochemical-encapsulated gold nanoparticles (GB-AuNPs) were fully characterized, and their anticancer activity, including immunomodulatory profiles, were evaluated against breast (MDAMB-231) cancer cell lines.Results: Characterization revealed spherical morphology for GB-AuNPs and possessed optimum in vitro stability through high zeta potential of − 34 mV for optimum in vivo stability. The core size of GB-AuNPs of 19 nm allows for penetration into tumor cells through both EPR effects as well as through the receptor-mediated endocytosis. The Antitumor efficacy of this nano-ayurvedic medicine agent revealed strong antitumor effects of GB-AuNPs towards MDAMB-231. Our investigations reveal that GB-AuNPs enhance anti-tumor cytokines (IL-12, TNF-α, IFN-γ) and reduce pro-tumor cytokines (IL-10, IL-6), promoting the conversion of protumor M2 macrophages into M1-like macrophage antitumor phenotype. Cellular studies show that GB-AuNPs offer superior anti-tumor efficacy and a better safety profile against breast tumors compared to cisplatin.Conclusion: Our investigations have demonstrated that the nano-ayurvedic medicine agent, GB-AuNPs, treats cancers through an immunomodulatory mechanism facilitated by elevated levels of anti-tumor cytokines (TNF-α, IFN-γ and IL-12) with concomitant downregulation of pro-tumor cytokines expression (IL-6 and IL-10). The green nanotechnology approach for the development of nano-ayurvedic medicine agent (GB-AuNPs), as described in this paper, presents new and attractive opportunities for treating human cancers and other debilitating diseases and disorders.Keywords: Ginkgo biloba, gold nanoparticles, anticancer, Nano-Ayurvedic

Medicinal plants are rich in bioactive components, which exert various biological activities that are beneficial for living. This study evaluated the antioxidant, antitumor, and anti-inflammatory activities of Dhimran (Ocimum forsskaolii benth) in mice. The main volatile compounds in Dhimran essential oil (DEO) were endo-fenchol, tau-cadinol, and β-atlantol, while Dhimran extract (DE) was rich in caffeic acid and quercetin. These active compounds in DE and DEO possess antioxidant activity, scavenging 93% of DPPH radicals, antibacterial activity against MDR bacteria, and anticancer activity against HepG2 cancer cell line. These activities influenced the mice"s health. A total of 180 mice were divided into six treatment groups for 30 days as follows: T1 was fed a basal diet; T2 received CCl4 (187 mg/kg BW); T3 received DEO (4 mL/kg); T4 received DE (4 mL/kg); T5 received DEO+CCl4; and T6 received DE+CCl4. The oral administration of CCl4 to mice resulted in an increase in absolute liver weight (ALW) and relative organ weight (ROW) and a significant decrease in body weight gain and feed conversion ratio (FCR). Additionally, there was a notable reduction in levels of red blood cells (RBCs), hematocrit (Ht), hemoglobin (Hb), and platelets; however, there was an increase in white blood cells (WBCs). The administration of CCL4 in mice lowered total protein content; however, it raised the activity of AST, ALT, ALP, and LDH in mice liver homogenate compared to the control (P

This study involved the synthesis of the UiO-67 metal-organic framework; UiO-67 is a well-known type of MOF obtained by coordinating the Zr6O4(OH)4 metal unit with the 4,42-biphenyldicarboxylate organic linker, using the hydrothermal technique. The novelty of the current work is to synthesize UiO-67 MOFs, and their application as biological agents for antibacterial and cancer cells. Subsequently, the composite material UiO-67 was subjected to a comprehensive characterization process involving Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), thermal gravimetric analyses (TGA) and surface area analysis, and the results showed the successful synthesis of the UiO-67 MOFs, with a high specific surface area of 1415 m2/g. The­­­ synthesized UiO-67 for its antibacterial properties tested against five pathogenic bacterial strains, which include three gram-positive and methicillin-resistant pairs including MRSA, S. aureus and Enterococcus faecalis, and Two gram-negative bacteria E. colli and S. typhimurium using the agar well diffusion method. These findings have shown enhanced, strong antibacterial activity against all the five used gram-positive and gram-negative bacterial strains. Furthermore, the anticancer efficacy of UiO-67 was evaluated on two distinct types of cancer cells: We are using MCF-7 (human breast cancer cell line) and HepG2 (human liver cancer cells). The experiments prove that UiO-67 has the potential of cytotoxicity against both Glioblastoma and H460 cancer lines with the ability to inhibit apoptosis at the same time.

Abstract In the present study the authors’ main goal is to avoid the corrosive attack of the chloride ions of 3.5% NaCl solution in saline medium on the mild steel (MS), by addition of small amount of a new derivative of the hydrazide called ligand (HL), as a corrosion inhibitor. This study had been achieved by employing different electrochemical measurements such as, open circuit potential (OCP), electrochemical impedance spectroscopy (EIS) and potentio-dynamic polarization (PDP) methods. The results of the electrochemical test (OCP), showed that, the open circuit potential of the mild steel in saline solution, was guided to more positive direction in presence of the ligand (HL), at its ideal concentration (1 × 10−3 M), compared to the (OCP), of the mild steel in absence of (HL). The results of the electrochemical methods, EIS and PDP presented that, the ligand (HL), was acted as a good corrosion inhibitor for hindering the corrosion process of the mild steel in 3.5% sodium chloride, as it was recorded a good percentage of the inhibition efficiency (77.45%, 53.41%, by EIS and PDP techniques respectively), at its optimum concentration (1 × 10−3 M). Also, the corrosion rate of the mild steel in the saline medium without (HL), was listed about (0.0017 mm/year), while in existence of (HL), was decreased to a value about (0.00061 mm/year). As well, some of electrical properties of (HL), and its derivative [Pd(II), Cr(III), and Ru(III)], complexes were investigated such as; the activation energy (Ea(ac)), which recorded values in the range of 0.02–0.44 (eV) range and electrical conductivity which listed values at room temperature in the range of 10−5–10−8 S.cm−1. The results of the AC and DC electrical conductivity measurements for (HL), and its derivative [Pd(II), Cr(III) and Ru(III)] complexes indicate semiconducting nature which suggests that these compounds could be used in electronic devices. Also, the complexes exhibited higher conductivity values than (HL). Photophysical studies showed good florescence properties of HL that indicated that it can be used to determine most of the drugs with no fluorescence properties by quenching and calculating quantum yield. Moreover, the hydrazide ligand (HL), has shown selectivity as an active anticancer candidate drug for both breast and colon cancer in humans. Density function theory demonstrated that, the frontier molecular orbital HOMOs of the complexes have exhibited similar behavior and the charge density has localized in the metallic region of all the studied complexes. Also, the values of the energy gap of the ligand (HL), and its complexes Pd(II), Cr(III) and Ru(III), had been arranged in this order HL > Cr(III) > Ru(III) > Pd(II). All characterization using different spectroscopic techniques were reported to elucidate the proposed structures such as; thermal analysis, elemental analysis of C, H, and N atoms, spectral analysis using IR, UV, 1H NMR techniques, scanning electron microscopy and energy dispersive X-ray analyses.

Abstract Background Sophorolipids are glycolipid biosurfactants with potential antibacterial, antifungal, and anticancer applications, rendering them promising for research. Therefore, this study hypothesizes that sophorolipids may have a notable impact on disrupting membrane integrity and triggering the production of reactive oxygen species, ultimately resulting in the eradication of pathogenic microbes. Results The current study resulted in the isolation of two Metschnikowia novel yeast strains. Sophorolipids production from these strains reached maximum yields of 23.24 g/l and 21.75 g/l, respectively, at the bioreactors level. Biosurfactants sophorolipids were characterized using FTIR and LC–MS techniques and found to be a mixture of acidic and lactonic forms with molecular weights of m/z 678 and 700. Our research elucidated sophorolipids’ mechanism in disrupting bacterial and fungal membranes through ROS generation, confirmed by transmission electron microscopy and FACS analysis. The results showed that these compounds disrupted the membrane integrity and induced ROS production, leading to cell death in Klebsiella pneumoniae and Fusarium solani. In addition, the anticancer properties of sophorolipids were investigated on the A549 lung cancer cell line and found that sophorolipid-11D (SL-11D) and sophorolipid-11X (SL-11X) disrupted the actin cytoskeleton, as evidenced by immunofluorescence microscopy. The A549 cells were stained with Acridine orange/Ethidium bromide, which showed that they underwent necrosis. This was confirmed by flow cytometric analysis using Annexin/PI staining. The SL-11D and SL-11X molecules exhibited low levels of haemolytic activity and in-vitro cytotoxicity in HEK293, Caco-2, and L929 cell lines. Conclusion In this work, novel yeast species CIG-11DT and CIG-11XT, isolated from the bee’s gut, produce significant yields of sophorolipids without needing secondary oil sources, indicating a more economical production method. Our research shows that sophorolipids disrupt bacterial and fungal membranes via ROS production. They suggest they may act as chemo-preventive agents by inducing apoptosis in lung cancer cells, offering the potential for enhancing anticancer therapies.

Background: Cancer is the most common cause of death and is still a serious public health problem. Alkaloids, a class of bioactive compounds widely diffused in plants, especially Chinese herbs, are used as functional ingredients, precursors, and lead compounds in food and clinical applications. Among them, aporphine alkaloids (AAs), as an important class of isoquinoline alkaloids, exert a strong anticancer effect on multiple cancer types. Aim of review: This review aims to comprehensively summarize the phytochemistry, pharmacokinetics, and bioavailability of seven subtypes of AAs and their derivatives from various plants and highlight their anticancer bioactivities and mechanisms of action.Key Scientific Concepts of Review.The chemical structures and botanical diversity of AAs are elucidated, and promising results are highlighted regarding the potent anticancer activities of AAs and their derivatives, contributing to their pharmacological benefits. This work provides a better understanding of AAs and combinational anticancer therapies involving them, thereby improving the development of functional food containing plant-derived AA and the clinical application of AAs.

Green-synthesized silver and copper nanoparticles (NPs), along with their composites, exhibit various biological activities. Ocimum sanctum (Holy basil), traditionally used as medicine in South Asia, treats respiratory disorders, digestive issues, skin diseases and inflammatory conditions. Modern scientific studies support these bioactivities; however, no studies have investigated their bioactivity in combination with NPs. In this study, silver and copper NPs were synthesized using AgNO3 and CuSO4·5H2O solutions, respectively, with Ocimum sanctum leaf extract, and their antibacterial, antioxidant and anticancer properties were examined. Spectroscopic analyses, including Fourier transform infra-red (FTIR), transmission electron microscopy (TEM) and X-ray diffraction (XRD), elucidated the physicochemical characteristics of the green-synthesized nanoparticles (Os-AgNPs and Os-CuNPs), revealing sizes of 11.7 and 13.1 nm, respectively. The Os-AgNPs:Os-CuNPs nano-composite with a 1:2 ratio exhibited a zone of inhibition ranging from 8 to 12 mm against tested bacterial pathogens. Additionally, the NPs and their composites demonstrated potent antioxidant activity, with notable 2-diphenyl-2-picrylhydrazyl (DPPH) scavenging activity observed in composites with ratios of 2:1 and 1:2. Furthermore, they displayed potential anticancer activity against human leukaemia (Jurkat) cancer cells. Although no distinct difference in anticancer property was observed among the NPs and their composites, our study highlights their well-defined nanostructure and significant biological activity, suggesting their potential as therapeutic agents in the pharmaceutical industry.

Background and Objectives: Plant metabolites, like antimicrobial and cytotoxic effects, exhibit therapeutic benefits. The crude extract of Cyperus rotundus (CR) rhizomes demonstrates such activities; however, the specific components responsible for these functions have not been determined. This study identifies the bioactive alkaloids in CR rhizome extract. Methods: The crude methanolic extract of CR rhizomes was acidified, followed by basification. The precipitate was then purified using sequential chromatographic and high-performance liquid chromatography techniques. Structural elucidation of the derived compound was performed using the Fourier-transform infrared spectroscopy, proton nuclear magnetic resonance, and mass spectroscopy. Disc dilution and diffusion assays were used to evaluate the isolated compound’s minimum inhibitory concentrations (MICs) and minimum bactericidal concentrations (MBCs) against selected microbial species. The cytotoxicity of the isolated compound was determined against HeLa cancer cells using MTT cell proliferation assays. Results: Spectral analysis confirmed the presence of norrotundine-6-O-glucoside plus appreciable amounts of flavonoids nootkatone, quercetin, chlorogenic acid, catechin, and β-sitosterol. The isolated alkaloid inhibited the growth of Staphylococcus aureus (MIC=MBC=64 µg/mL), Escherichia coli (MIC=100 µg/mL), and Candida albicans (MIC=MBC=64 µg/mL). The alkaloid’s half-maximal inhibitory concentration (IC50) was 203.7 µg/mL. The obtained alkaloid from the CR rhizomes’ crude extract revealed bactericidal and fungicidal effects against S. aureus and C. albicans, respectively, at 64 µg/mL, bacteriostatic against E. coli at 100 µg/mL, and cytotoxic against HeLa cells at an IC50 equal to 203.7 µg/mL. Conclusion: The elucidated alkaloid from the CR rhizomes’ crude extract exhibited bactericidal and fungicidal effects against S. aureus and C. albicans, respectively, at 64 µg/mL, bacteriostatic activity against E. coli at 100 µg/mL and cytotoxicity against HeLa cells at IC50 of 203.7 µg/mL.

AbstractGreen-mediated synthesis of nanoparticles has earned a promising role in the area of nanotechnology due to their biomedical applications. This study describes the synthesis of silver nanoparticles (AgNPs) using Mikania micrantha leaf extract and its functional activities against cancer. The synthesis of AgNPs was confirmed using Ultraviolet-Visible (UV-Vis) spectrum that exhibited an absorption band at 459 nm. The bioactive compounds of M. micrantha leaf extract that functioned as reducing and capping agents were confirmed by a shift in the absorption bands in Fourier Transform Infra-red Spectroscopy (FT-IR). Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) studies validated the spherical shape and size of AgNPs, respectively. Energy Dispersive Spectroscopy (EDS) analysis revealed the presence of elemental silver. The crystalline nature of AgNPs was confirmed by the X-ray Diffraction Analysis (XRD). AgNPs effectively induced cytotoxicity and prevented A549 cell colony formation in a dose-dependent manner. Treatment of A549 cells with AgNPs also increased DNA damage, which was coupled with elevated lipid peroxidation and decreased antioxidant enzymes such as glutathione (GSH), glutathione-s-transferase (GST), and superoxide dismutase (SOD). Following AgNPs treatment, the mRNA expression levels of the pro-apoptotic genes as well as the activities of caspases were significantly elevated in A549 cells while the expression levels of anti-apoptotic genes were downregulated. Our study demonstrates the potential of the synthesised AgNPs for cancer therapy possibly targeting the apoptotic pathway.

Background: Blood cancer is a significant contributor to mortality rates worldwide, and its prevalence is projected to rise on a global scale. This trend places considerable strain on healthcare systems and necessitates the expedited development of innovative treatments by pharmaceutical firms to remain competitive. Conventional pellets produce rapid plasma drug levels, but they might cause side effects, decrease effectiveness, and lead to poor therapeutic management. Ibrutinib and Nilotinib are employed to treat leukemia patients. Methodology: The current research aims to formulate, characterize, and anticancer effect of Nilotinib immediate release (NIR) and Ibrutinib sustained release (ISR) seal sugar-coated pellets. Micrometric properties estimated the characterization of the drug pellets, and surface morphology was estimated using scanning electron microscopy. Drug excipient compatibility studies, stability studies, and in-vitro drug release were accessed. Result & Discussion: The results of pellet formulations FNI-1 to FNI-5 showed that FNI-5 formulations showed 100±6.0 µm size and possessed excellent mechanical strength for giving pellets a good self-life; also, due to the higher drug content up to 99%, FNI-5 was the best suited for pellet formulation and because NIR showed 99.18 ± 2.12 drug release at 2h and ISR 99.03±3.74% up to 12h so that anticancer concentration maintained for prolonged period. The standard dose for cytotoxicity against the THP-1 cell line of Nilotinib was found to be 200 mg, and the maintenance oral dose of Ibrutinib was 140mg, with four times the intake of the drug up to 560 mg. In an in vitro study in FNI-5 (final formulation), the dose of Ibrutinib was reduced to 420 mg. Conclusion: A synergistic effect of Ibrutinib and nilotinib drugs was observed in the inhibition of cancer cell growth, with an IC50 value of 4.585 µg/mL

Abstract Worldwide, colorectal cancer (CRC) is the third most common type of cancer and the second most common cause of cancer-related deaths. Thymidylate synthase (TS) is a crucial component of DNA biosynthesis and has drawn interest as an essential target for cancer treatment. In the current work, we have designed and synthesized twenty-eight new diaryl-based pyrido[2,3-d]pyrimidine/alkyl-substituted pyrido[2,3-d]pyrimidine derivatives and evaluated their anticancer activity against the HCT 116, MCF-7, Hep G2, and PC-3 cell lines cell lines. Additionally, we have carried out TS inhibitory activity and in silico studies for compounds 1n and 2j. All the synthesized compounds exhibited good anticancer activity, but among them, compounds 1n and 2j showed excellent anticancer activity, having IC50 values of 1.98 ± 0.69, 2.18 ± 0.93, 4.04 ± 1.06, and 4.18 ± 1.87 µM; and 1.48 ± 0.86, 3.18 ± 0.79, 3.44 ± 1.51, and 5.18 ± 1.85 µM, against the HCT 116, MCF-7, Hep G2, and PC-3 cell lines respectively with control raltitrexed (IC50 1.07 ± 1.08, 1.98 ± 0.72, 1.34 ± 1.0, and 3.09 ± 0.96 µM, respectively) and hTS inhibitory activity with IC50 values of 20.47 ± 1.09 and 13.48 ± 0.96 nM with control raltitrexed (IC50 14.95 ± 1.01 nM). Further, the mechanism of inhibition was revealed by molecular docking, which showed the binding pattern of 1n and 2j to the catalytic site of TS with docking scores of -10.6 and − 9.5 kcal/mol, respectively, with reference raltitrexed (-9.4 kcal/mol). Additionally, the assessment of physicochemical, biochemical, structural, and toxicological characteristics were also in the acceptable range for these compounds. Based on the anticancer activity of compounds, SAR was also performed for lead optimization.

Abstract Silver nanoparticles were successfully incorporated into a melamine-based polymer, resulting in the synthesis of (Ag NPs@Bipy-PAN) through a reverse double solvent approach. The synthesised Ag NPs@Bipy-PAN polymer underwent extensive characterisation through Powder X-ray Diffraction (PXRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy and Energy Dispersive X-ray (EDX) and Thermal Gravimetric Analysis. PXRD analysis confirmed the successful encapsulation of Ag nanoparticles and provided insights into the amorphous nature of the polymer following encapsulation. SEM and EDX analyses further corroborated the presence and distribution of Ag nanoparticles on the polymer surface. The biological efficacy of the Ag NPs@Bipy-PAN polymer was evaluated through antibacterial, anti-breast cancer, and biocompatibility assays. The results demonstrated notable antibacterial and anticancer activities, with significant efficacy against bacterial strains and breast cancer cells. Biocompatibility assessments indicated acceptable compatibility, particularly at a concentration of 2.5 mg/mL, compared to untreated control cells. These findings suggest that Ag NPs@Bipy-PAN has considerable potential as a candidate for cancer-targeted and antimicrobial drug delivery systems. The incorporation of silver nanoparticles into the melamine-based polymer enhances the safety profile of these systems in in vivo conditions, making them a viable option for advanced therapeutic applications.

Abstract Ethnomedicinal plants are thought to have better prospects of harboring endophytes that produce natural products with pharmacological activities. This study aimed to investigate the antiplasmodial and anticancer properties of secondary metabolites of endophytic fungi from three medicinal plants. The endophytic fungi included Lasiodiplodia theobromae isolated from Cola acuminata, Curvularia lunata Bv4 isolated from Bambusa vulgaris, and Curvularia lunata Eg7 isolated from Elaeis guineensis. The identification of the fungi was based on the internal transcribed spacer (ITS-rDNA) sequence. The fungi were subjected to solid-state fermentation and the secondary metabolites were extracted with ethyl acetate. In vitro antiplasmodial screening of extracts was performed using the SYBR green I-based fluorescence assay on the chloroquine-resistant Plasmodium falciparum strain DD2. The cytotoxicity of the extracts on human red blood cells and Jurkat (leukemia) cells was assessed using the tetrazolium-based colorimetric MTT assay. Gas chromatography-mass spectrometry (GC–MS) analysis was used to identify the constituents of the fungal extracts. The extract of L. theobromae showed the best antiplasmodial activity against chloroquine-resistant P. falciparum (IC50 = 5.4 µg/mL) and was not harmful to erythrocytes (CC50 > 100 µg/mL). All three fungal extracts showed a weak cytotoxic effect against Jukart cell lines (CC50 > 100 µg/mL). GC–MS analysis of the three endophytic fungal extracts revealed the presence of forty major bioactive compounds, including: oxalic acid, isobutyl nonyl ester, 2,4-di-tert-butylphenol, and hexadecanoic acid, among others. The endophytic fungi from the medicinal plants in this study were promising sources of bioactive compounds that could be further evaluated as novel drugs for the treatment of malaria caused by P. falciparum-resistant strains.

Lu Xu,1,* Jing Liu,2,* Suli Li,1 Xingchen Lu,1 Wenjie Gu,1 Shunhua Zhu,1 Meng Wang,1 Xiaojin Wu,3 Qingli Huang1 1Public Experimental Research Center of Xuzhou Medical University, Xuzhou, Jiangsu Province, 221004, People’s Republic of China; 2Department of Neurology, the Affiliated Xuzhou Municipal Hospital of Xuzhou Medical University, Xuzhou No. 1 People’s Hospital, Xuzhou, Jiangsu Province, 221100, People’s Republic of China; 3Department of radiotherapy, the affiliated Xuzhou Municipal Hospital of Xuzhou Medical University, Xuzhou No. 1 People’s Hospital, Xuzhou, Jiangsu Province, 221100, People’s Republic of China*These authors contributed equally to this workCorrespondence: Xiaojin Wu; Qingli Huang, Email xiaojinwu@xzhmu.edu.cn; qlhuang@xzhmu.edu.cnPurpose: Developing novel multimodal nanomaterials-based anticancer agents to meet complex clinical demands is an urgent challenge. This study presents a novel uniform hollow S-doped NiCuFe Prussian blue analogue (NiCuFe-S) with satisfactory size and properties as anticancer agents for efficient cervical cancer therapy using a simple and environmentally friendly procedure.Methods: The formation mechanism and the reason for enhanced performance of NiCuFe-S were characterized and discussed by diverse spectroscopic and microscopic methods. Moreover, to demonstrate the anti-cancer ability of NiCuFe-S, in vitro and in vivo experiments were carried out.Results: Compared to the non-doped NiCuFe, the NiCuFe-S exhibited significantly enhanced photothermal and catalytic activity attributed to the electronic bandgap-narrowing effect and the increased electron circuit paths resulting from S doping. The hollow structure of NiCuFe-S facilitated the loading of small-molecule drugs, such as doxorubicin (DOX), transforming it into a multimodal nanoplatform for cervical cancer treatment. In vitro and in vivo experiments proved the potential of the NiCuFe-S nanotheranostic agent for chemodynamic therapy (CDT), photothermal therapy (PTT), and chemotherapy for cervical cancer.Conclusion: This research not only overcomes inherent limitations but also significantly broadens the applications of Prussian blue analogues in biomedicine.Keywords: nanomaterials, Prussian blue analogue, catalytic, photothermal therapy, anticancer

Aaptamine (8,9-dimethoxy-1H-benzo[de][1,6]naphthyridine), an alkaloid obtained from marine sponges of the genus Aaptos (Demospongiae, Suberitida, Suberitidae), has attracted significant attention as a promising scaffold for the development of antioxidant, antibacterial, and anticancer agents. This review offers an extensive overview of updated research on aaptamine, focusing on its multifaceted pharmacological properties. The antioxidant potential of aaptamine reflects its potential ability for use in the DPPH free radical scavenging assay, for suppressing ROS, and subsequently deactivating the MAPK and AP-1 signaling pathway. Moreover, it demonstrates notable antibacterial activity against pathogenic bacteria, including mycobacterial active and dormant states, making it a potential candidate for combating bacterial infections. Additionally, aaptamine shows promising anticancer activity by inhibiting cancer cell proliferation, apoptosis induction, and suppressing tumor growth through various signaling pathways, including the regulation of PTEN/PI3K/Akt and CDK2/4, and the regulation of cyclin D1/E in cell cycle arrest. The unique chemical structure of aaptamine offers opportunities for structural modifications aimed at enhancing its antioxidant, antibacterial, and anticancer activities. The exploration of aaptamine as a scaffold in the development of novel therapeutic agents offers great promise for addressing various challenges associated with oxidative stress, bacterial infections, and cancer. This article underscores the potential of aaptamine as a valuable marine-derived scaffold in the fields of antioxidant, antibacterial, and anticancer therapy.

This study uses the aerial parts of Panicum maximum total extract (PMTE) to synthesize silver nanoparticles (AgNPs) in an environmentally friendly manner. TEM, SEM, FTIR, X-ray powder diffraction (XRD), Zeta potential, UV, and FTIR were used to characterize the green silver nanoparticles (PM-AgNPs). PM-AgNPs were evaluated as anticancer agents compared to (PMTE) against breast (MCF-7), lung (A549), and ovary adenocarcinoma (SKOV3) human tumour cells. The antibacterial activity of AgNPs was assessed against Staphylococcus aureus isolates. The PM-AgNPs had an absorbance of 418 nm, particle size of 15.18 nm, and zeta potential of −22.4 mV, ensuring the nanosilver’s stability. XRD evaluated the crystallography nature of the formed PM-AgNPs. The cytotoxic properties of PM-AgNPs on MCF-7 and SKOV 3 were the strongest, with IC50s of 0.13 ± 0.015 and 3.5 ± 0.5 g/ml, respectively, as compared to A549 (13 ± 3.2 µg/mL). The increase in the apoptotic cells was 97.79 ± 1.61 and 96.6 ± 1.91% for MCF-7 and SKOV3 cell lines, respectively. PM-AgNPs were found to affect the membrane integrity and membrane permeability of 50 and 43.75% of the tested isolates, respectively. Also, PM-AgNPs have recorded a reduction in the biofilm formation of S. aurues. These results suggest using PM-AgNPs to treat breast and ovarian cancers.

Abstract Background Triple-negative breast cancer (TNBC) is an aggressive subtype of breast cancer. Radiation therapy (RT) is a modality for TNBC management. Radiosensitizers can mitigate the adverse effects of RT. Applying green-synthesized silver nanoparticles (Ag-NPs) from biological sources such as plants is a potential strategy to sensitize cancer cells to radiotherapy due to the low toxicity. Therefore, identifying novel natural sources for synthesizing stable and broadly applicable green-Ag-NPs has gained more attention in cancer therapy. In the present study, we synthesized green- Ag-NPs from pumpkin peel extract and elucidated the impact of green-synthesized Ag-NPs as a radiosensitizer in MDA-MB 231 cells (a model of TNBC). Results The prepared Ag-NPs had a spherical shape with an average size of 81 nm and a zeta potential of − 9.96 mV. Combination of green-synthesized Ag-NPs with RT exhibited synergistic anticancer effects with an optimum combination index (CI) of 0.49 in MDA-MB-231 cells. Green-synthesized Ag-NPs synergistically potentiated RT-induced apoptosis in MDA-MB-231 cells compared to the corresponding monotherapies. Morphological features of apoptosis were further confirmed by the DAPI–TUNEL staining assay. HIF-1α expression was decreased in cells subjected to combination therapy. Bax and p53 expression increased, whereas Bcl-2 genes decreased. Combination therapy significantly increased the protein level of PERK and CHOP while decreasing cyclin D1 and p-ERK/total ERK levels compared to monotherapies. Conclusion These findings indicate the potential effect of green-synthesized Ag-NPs as a radiosensitizer for TNBC treatment. Graphical Abstract

Abstract In the present study, green synthetic pathway was adapted to synthesize CuO–ZnO bimetallic nanoparticles (BNPs) using Eryngium foetidum leaf extract and their anti-cancer activity against MCF7 breast cancer cell lines, anti-microbial activity and in vitro anti-oxidant activity were evaluated. Various bio-active compounds present in leaf extract were responsible for the reduction of CuO–ZnO NPs from respective Cu2+ and Zn2+ metal precursors. In the present study, the involvement of bio-active compounds present in E. foetidum extract before and after green synthesis of BNPs were evaluated for the first time. Rod-shaped and spherical structural morphology of synthesized BNPs were revealed by using FESEM, TEM, and XRD analysis with particle size ranged from 7 to 23 nm with an average size of 16.49 nm. The distribution of Cu and Zn were confirmed by elemental mapping. The green synthesized CuO–ZnO NPs showed significant cytotoxic effect with the inhibition rate 89.20 ± 0.03% at concentration of 500 μg/mL. Again, good antioxidant activity with IC50; 0.253 mg/mL and antimicrobial activity of BNPs were also evaluated with the increasing order of MIC; E. coli (7.81 μg/mL)

Abstract Background Squama Manis is a valuable traditional Chinese medicine with a long history of medicinal use in the treatment of breast-related diseases. However, owing to the excessive exploitation and utilization of the resources, Squama Manis has been included in the list of rare and endangered wild animals. The conservation of the resources of Squama Manis and continuing its clinical application has become an urgent problem, and the search for small-molecule substitutes for Squama Manis is an effective way to achieve this goal. Previous studies have identified PA3264 as a possible active ingredient in Squama Manis. In this study, we systematically investigated the pharmacological effects and mechanisms of PA3264 in the treatment of triple-negative breast cancer (TNBC), a representative breast-related disease. Methods Cell viability and colony formation assays were performed after treatment with the target dipeptide PA3264 in vitro. Next, 4T1 orthotopic tumors and humanized PBMC-CDX mouse models were generated to examine the antitumor effect of PA3264 in vivo. Transcriptome sequencing and molecular docking experiments were performed to predict pathways to function. Western blotting and quantitative real-time PCR were used to validate the molecular mechanisms underlying the anticancer effects of PA3264. Results PA3264 significantly inhibited cell viability and migration of breast cancer cells in vitro. Furthermore, PA3264 suppressed the tumor size and reduced the tumor weight in vivo. Finally, it was verified that PA3264 prevented the progression of breast cancer by inhibiting the PI3K/AKT/NF-κB pathway, causing cell cycle arrest, and promoting apoptosis. Conclusions This study elucidated that PA3264 derived from rare and endangered Squama Manis was a novel bioactive peptide for treating triple-negative breast cancer from a scientific research perspective.

Abstract Styphnolobium japonicum leaves are considered a rich source of flavonoids, which are the prospective basis for various therapeutic effects. However, there has been a lack of comprehensive cytotoxic studies conducted on these leaves. Therefore, this ongoing investigation aimed to detect and isolate the flavonoids present in S. japonicum leaves, and assess their antioxidant and anticancer properties. The defatted extract from S. japonicum leaves was analyzed using HPLC, which resulted in the identification of seven phenolics and six flavonoids. Rutin and quercetin were found to be the most abundant. Furthermore, a comprehensive profile of flavonoids was obtained through UPLC/ESI–MS analysis in negative acquisition mode. Fragmentation pathways of the identified flavonoids were elucidated to gain relevant insights into their structural characteristics. Furthermore, genistein 7-O-glucoside, quercetin 3-O-rutinoside, and kaempferol 3-O-α-L-rhamnopyranosyl-(1 → 6)-β-D-glucopyranosyl-(1 → 2)-β-D-glucopyranoside were isolated and characterized. The defatted extract rich in flavonoids exhibited significant antioxidant, iron-reducing, free radicals scavenging impacts, and remarkable cytotoxicity against the liver cell line (IC50 337.9μg/ mL) and lung cell line (IC50 55.0 μg/mL). Furthermore, the antioxidant and anticancer capacities of the three isolated flavonoids have been evaluated, and it has been observed that their effects are concentration-dependent. The findings of this research highlight the promising impact of flavonoids in cancer therapy. It is recommended that future scientific investigations prioritize the exploration of the distinct protective and therapeutic characteristics of S. japonicum leaves, which hold significant potential as a valuable natural resource.

Abstract Epothilones are one of the common prescribed anticancer drugs for solid tumors, for their exceptional binding affinity with β-tubulin microtubule, stabilizing their disassembly, causing an ultimate arrest to the cellular growth. Epothilones were initially isolated from Sornagium cellulosum, however, their extremely slow growth rate and low yield of epothilone is the challenge. So, screening for a novel fungal endophyte dwelling medicinal plants, with higher epothilone productivity and feasibility of growth manipulation was the objective. Aspergillus niger EFBL-SR OR342867, an endophyte of Latania loddegesii, has been recognized as the heady epothilone producer (140.2 μg/L). The chemical structural identity of the TLC-purified putative sample of A. niger was resolved from the HPLC, FTIR and LC–ESI–MS/MS analyses, with an identical molecular structure of the authentic epothilone B. The purified A. niger epothilone B showed a resilient activity against MCF-7 (0.022 μM), HepG-2 (0.037 μM), and HCT-116 (0.12 μM), with selectivity indices 21.8, 12.9 and 4, respectively. The purified epothilone B exhibited a potential anti-wound healing activity to HepG-2 and MCF-7 cells by ~ 54.07 and 60.0%, respectively, after 24 h, compared to the untreated cells. The purified epothilone has a significant antiproliferative effect by arresting the cellular growth of MCF-7 at G2/M phase by ~ 2.1 folds, inducing the total apoptosis by ~ 12.2 folds, normalized to the control cells. The epothilone B productivity by A. niger was optimized by the response surface methodology, with ~ 1.4 fold increments (266.9 μg/L), over the control. The epothilone productivity by A. niger was reduced by ~ 2.4 folds by 6 months storage as a slope culture at 4 °C, however, the epothilone productivity was slightly restored with ethylacetate extracts of L. loddegesii, confirming the plant-derived chemical signals that partially triggers the biosynthetic genes of A. niger epothilones. So, this is the first report emphasizing the metabolic potency of A. niger, an endophyte of L. loddegesii, to produce epothilone B, that could be a new platform for industrial production of this drug.

Introduction: In recent times, the focus of cancer research has shifted to naturally occurring compounds derived from plants that may have the potential for anticancer activity. Moringa oleifera is a softwood tree whose fruits, roots, and leaves have been advocated for medicinal and industrial uses. Angiogenesis plays an important role in many physiological and pathological conditions and is considered a hallmark of tumour development and progression. An efficient anticancer drug is expected to have a significant inhibitory effect on angiogenesis. However, there are a limited number of studies reported to explore the anti-angiogenic activities of Moringa Oleifera Leaf extract (MOL). Aim: To assess the effect of MOL on angiogenesis using the Yolk Sac Model (YSM). Materials and Methods: A preliminary in-ovo study was conducted in the in the specialised Regenerative laboratory of Dr. D.Y. Patil Dental College and Hospital, Pimpri, Pune, Maharashtra, India, between September 2022 and February 2023 after obtaining necessary scientific and ethical permissions. The calculated sample size for YSM analysis was seven in each study and control group (total of 14); however, the authors used a total of 28 YSMs (seven in each of the three study concentration groups and seven in the control group). In this method, freshly fertilised White Leghorn chicken (Gallus domesticus) eggs, procured from the hatchery, were incubated and treated with different concentrations (10 μg/mL, 100 μg/mL, and 500 μg/mL) of the treatment substance (MOL) along with a control group (Avastin). The anti-angiogenic effect of MOL extract was determined by calculating vessel density, total vessel network length, total branching points, total segments, mean segment length, and width in the three groups compared to Avastin after 48 hours of treatment using WimCam software for analysing the images. Descriptive statistical analysis and one-way Analysis of Variance (ANOVA) were then applied to compare the parameters in the four groups. Results: Statistical analysis by one-way ANOVA showed a significant (p

Abstract Research into the anticancer activity of quantum-sized carbon dots (CDs) has emerged as a promising avenue in cancer research. This CDs delves into the opportunities and challenges associated with harnessing the potential of these nanostructures for combating cancer. Quantum-sized carbon dots, owing to their unique physicochemical properties, exhibit distinct advantages as potential therapeutic agents. Opportunities lie in their tunable size, surface functionalization capabilities, and biocompatibility, enabling targeted drug delivery and imaging in cancer cells. However, we include challenges, a comprehensive understanding of the underlying mechanisms, potential toxicity concerns, and the optimization of synthesis methods for enhanced therapeutic efficacy. A succinct summary of the state of the research in this area is given in this review, emphasizing the exciting possibilities and ongoing challenges in utilizing quantum-sized carbon dots as a novel strategy for cancer treatment.

Abstract Background Biotechnology provides a cost-effective way to produce nanomaterials such as silver oxide nanoparticles (Ag2ONPs), which have emerged as versatile entities with diverse applications. This study investigated the ability of endophytic bacteria to biosynthesize Ag2ONPs. Results A novel endophytic bacterial strain, Neobacillus niacini AUMC-B524, was isolated from Lycium shawii Roem. & Schult leaves and used to synthesize Ag2ONPS extracellularly. Plackett–Burman design and response surface approach was carried out to optimize the biosynthesis of Ag2ONPs (Bio-Ag2ONPs). Comprehensive characterization techniques, including UV–vis spectral analysis, Fourier transform infrared spectroscopy, transmission electron microscopy, X-ray diffraction, dynamic light scattering analysis, Raman microscopy, and energy dispersive X-ray analysis, confirmed the precise composition of the Ag2ONPS. Bio-Ag2ONPs were effective against multidrug-resistant wound pathogens, with minimum inhibitory concentrations (1–25 µg mL−1). Notably, Bio-Ag2ONPs demonstrated no cytotoxic effects on human skin fibroblasts (HSF) in vitro, while effectively suppressing the proliferation of human epidermoid skin carcinoma (A-431) cells, inducing apoptosis and modulating the key apoptotic genes including Bcl-2 associated X protein (Bax), B-cell lymphoma 2 (Bcl-2), Caspase-3 (Cas-3), and guardian of the genome (P53). Conclusions These findings highlight the therapeutic potential of Bio-Ag2ONPs synthesized by endophytic N. niacini AUMC-B524, underscoring their antibacterial efficacy, anticancer activity, and biocompatibility, paving the way for novel therapeutic strategies.

Cancer is now the second leading cause of death after cardiovascular diseases. Although there are many different cancer treatments available, all of them have serious side effects and drug resistance. Therefore, scientists are searching for natural products that can effectively prevent the occurrence of cancers. Studies have shown that the consumption of citrus fruits can reduce the risk of several diseases, including cancers, and its anti-cancer effects are attributed to a variety of bioactive ingredients. This article systematically summarizes recent progress in research on the major anti-cancer ingredients in citrus fruits and their molecular mechanisms. Citrus is one of the important fruits with high medicinal value. In-depth studies on its anti-cancer effects and molecular mechanisms will help to enhance its industrial value, and provide a theoretical basis for the processing and development of citrus fruits into functional foods for chemical prevention of cancers. As the anti-cancer constituents and mechanisms of citrus fruits have been understood fully, their application as a natural source of anti-cancer agents in clinical cancer treatments can be expected soon.

Tissue culture techniques were used to produce large amounts of bioactive compounds with medicinal potential, overcoming space and time constraints for cancer prevention. Rice callus suspension cultures (RCSC) and seed extracts prepared from aromatic rice varieties were used to evaluate the cytotoxic impact on human colon and lung cancer cell lines, as well as a normal control cell line, using Taxol as a positive control. RCSC and seed extracts from two Indian aromatic rice varieties were applied at different concentrations to treat the cancer cell lines and normal lung fibroblasts over varying time intervals. Apoptosis was assessed in 1:5 dilutions of the A549 and HT-29 cell lines treated with RCSC for 72 h, using propidium iodide staining and flow cytometry. RCSC showed a more potent cytotoxic effect than seed extracts with minimal effect on the normal cell line, in contrast to Taxol. Confocal microscopy and flow cytometry further confirmed the apoptotic effect of RCSC. Gas chromatography-mass spectrometry-based metabolic profiling identified metabolites involved in cytotoxicity and highlighted altered pathways. RCSC is proposed as an alternative source for the development of novel anticancer drugs with reduced side effects.

Abstract Erlotinib is a reversible epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor that acts by inhibiting signaling pathways, resulting in the disruption of cancerous cell proliferation. Erlotinib is a promising anticancer agent mainly utilized in the mitigation of non-small cell lung cancer cells (NSCLC) and pancreatic tumor. Apart from NSCLC and pancreatic tumor, erlotinib has also been employed in different malignancies, including metastatic colorectal cancer, malignant glioma, breast cancer, gastrointestinal cancers, etc. Despite erlotinib’s distinctive qualities as a targeted drug, its applications are still limited by poor solubility, variable oral bioavailability, a high daily dose requirement, large protein binding, and primitive or acquired therapeutic resistance. Nanotechnology is a favorable approach to increase therapeutic effectiveness of erlotinib. It is one of the newest scientific field directed toward the diagnosis and targeted treatment of cancer. This technology aids in the distinction between normal and malignant cells, which overlays the strategy for targeted delivery. This manuscript discussed the advances of erlotinib nanoformulations in the management of different cancers. Moreover, the manuscript also comprises various research outcomes of erlotinib nanoformulations with other therapeutic agents as combinational therapy. Erlotinib can be delivered to a precise target in the body utilizing different polymers, lipids, and metals.

Abstract Background The ineffectiveness of treatments for infections caused by biofilm-producing pathogens and human carcinoma presents considerable challenges for global public health organizations. To tackle this issue, our study focused on exploring the potential of synthesizing new complexes of Co(II), Cu(II), Ni(II), and Zn(II) with sorbic acid to enhance its antibacterial, antibiofilm, and anticancer properties. Methods Four novel complexes were synthesized as solid phases by reacting sorbic acid with Co(II), Cu(II), Ni(II), and Zn(II). These complexes were characterized by various technique, including infrared spectra, UV–Visible spectroscopy, proton nuclear magnetic resonance (1H NMR), and thermal analysis techniques, including thermogravimetry (TG). Results The data acquired from all investigated chemical characterization methods confirmed the chemical structure of the sorbate metal complexes. These complexes exhibited antibacterial and antibiofilm properties against both Gram-positive and Gram-negative bacteria. Furthermore, these complexes enhanced the antibacterial effects of commonly used antibiotics, such as gentamicin and imipenem, with fractional inhibitory concentration (FIC) indices ≤ 0.5. Notably, the Cu(II) complex displayed the most potent antibacterial and antibiofilm activities, with minimum inhibitory concentration (MIC) values of 312.5 µg/mL and 625.0 µg/mL for Bacillus cereus and Escherichia coli, respectively. Additionally, in vitro assays using the methyl thiazolyl tetrazolium (MTT) method showed inhibitory effects on the growth of the human colon carcinoma cell line (HCT-116 cells) following treatment with the investigated metal complexes. The IC50 values for Co(II), Cu(II), Zn(II), and Ni(II) were 3230 µg/mL, 2110 µg/mL, 3730 µg/mL, and 2240 µg/mL, respectively. Conclusion Our findings offer potential for pharmaceutical companies to explore the development of novel combinations involving traditional antibiotics or anticancer drugs with sorbate copper complex.

Abstract We investigate the therapeutic potential of Aloin A and Aloin B, two natural compounds derived from Aloe vera leaves, focusing on their neuroprotective and anticancer properties. The structural differences between these two epimers suggest that they may exhibit distinct pharmacological properties. Our investigations revealed that both epimers are not stable in aqueous solution and tend to degrade rapidly, with their concentration decreasing by over 50% within approximately 12 h. These results underscore the importance of addressing issues such as the need for encapsulation into effective drug delivery systems to enhance stability. ThT fluorescence experiments showed that neither compound was able to inhibit Aβ amyloid aggregation, indicating that other mechanisms may be responsible for their neuroprotective effects. Next, an equimolar mixture of Aloin A and Aloin B demonstrated an ability to inhibit proteasome in tube tests, which is suggestive of potential anticancer properties, in accordance with antiproliferative effects observed in neuroblastoma SH-SY5Y and HeLa cell lines. Higher water stability and increased antiproliferative activity were observed by encapsulation in carbon dot nanoparticles, suggesting a promising potential for further in vivo studies.

Abstract Breast cancer remains a leading cause of cancer-related deaths among women globally, necessitating the development of more effective therapeutic agents with minimal side effects. This study explores novel 1,2,4-triazine-3(2H)-one derivatives as potential inhibitors of Tubulin, a pivotal protein in cancer cell division, highlighting a targeted approach in cancer therapy. Using an integrated computational approach, we combined quantitative structure–activity relationship (QSAR) modeling, ADMET profiling, molecular docking, and molecular dynamics simulations to evaluate and predict the efficacy and stability of these compounds. Our QSAR models, developed through rigorous statistical analysis, revealed that descriptors such as absolute electronegativity and water solubility significantly influence inhibitory activity, achieving a predictive accuracy (R2) of 0.849. Molecular docking studies identified compounds with high binding affinities, particularly Pred28, which exhibited the best docking score of − 9.6 kcal/mol. Molecular dynamics simulations conducted over 100 ns provided further insights into the stability of these interactions. Pred28 demonstrated notable stability, with the lowest root mean square deviation (RMSD) of 0.29 nm and root mean square fluctuation (RMSF) values indicative of a tightly bound conformation to Tubulin. The novelty of this work lies in its methodological rigor and the integration of multiple advanced computational techniques to pinpoint compounds with promising therapeutic potential. Our findings advance the current understanding of Tubulin inhibitors and open avenues for the synthesis and experimental validation of these compounds, aiming to offer new solutions for breast cancer treatment.

Ramya Manoharan,1 Chythra Somanathan Nair,1 Nermin Eissa,2 Hao Cheng,3 Pengliang Ge,4 Maozhi Ren,3 Abdul Jaleel1 1Department of Integrative Agriculture, College of Agriculture and Veterinary Medicine, United Arab Emirates University, Al Ain, United Arab Emirates; 2Department of Biomedical Sciences, College of Health Sciences, Abu Dhabi University, Abu Dhabi, United Arab Emirates; 3Institute of Urban Agriculture, Chinese Academy of Agricultural Sciences, Chengdu National Agricultural Science and Technology Center, Chengdu, People’s Republic of China; 4College of Plant Science & Technology, Huazhong Agricultural University, Wuhan, People’s Republic of ChinaCorrespondence: Abdul Jaleel, Department of Integrative Agriculture, College of Agriculture and Veterinary Medicine, United Arab Emirates University, Al Ain, United Arab Emirates, Tel +9713-7134558, Email abdul.jaleel@uaeu.ac.aeAbstract: Cancer has emerged as a formidable global health challenge, with treatment methods like chemotherapy and radiation often exacerbating the situation due to their associated side effects. Opting for natural sources like plants as a safer and environmentally friendly alternative seems promising. Historically, plants have served as valuable sources for treating diverse health conditions, attributable to their rich composition of therapeutic phytochemicals. Within this array of phytochemicals, alkaloids, especially those found in the Solanaceae plant family, are notably prominent. Alkaloids from Solanaceae plant family called Solanum alkaloids demonstrate noteworthy anti-tumour characteristics and exert a potent inhibitory influence on cancer cell proliferation. They trigger programmed cell death in cancerous cells through various molecular pathways, whether administered alone or combined with other medications. Solanum alkaloids act upon cancer cells via multiple mechanisms, including apoptosis induction, suppression of cell growth and migration, as well as inhibition of angiogenesis. This review provides insights into the anti-cancer attributes of Solanum alkaloids found in various Solanum plant species, along with a brief overview of their other medicinal properties.Keywords: Solanum alkaloids, anticancer, apoptosis, molecular mechanism, structure function relationship, therapeutic values