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Abstract This study evaluated the topical effect of Lepidium sativum lyophilized seed extract (LSLE) towards Sustanon-induced alopecia in male adult Wistar albino rats in vivo, compared to minoxidil topical reference standard drug (MRD). LC–MS/MS together with molecular networking was used to profile the metabolites of LSLE. LSLE treated group revealed significant changes in alopecia related biomarkers, perturbation of androgenic markers; decline in testosterone level and elevation in 5α-reductase (5-AR); decline in the cholesterol level. On the other hand, LSLE treated group showed improvement in vascular markers; CTGF, FGF and VEGF. Groups treated topically with minoxidil and LSLE showed significant improvement in hair length. LC–MS/MS profile of LSLE tentatively identified 17 constituents: mainly glucosinolates, flavonoid glycosides, alkaloids and phenolic acids. The results point to the potential role of LSLE in the treatment of alopecia through decreasing 5(alpha)-dihydrotestosterone levels. Molecular docking was attempted to evaluate the probable binding mode of identified compounds to androgen receptor (PDB code: 4K7A).

A series of novel arylazo nicotinates compounds, denoted as (3a-k and 5a-d) were synthesized and characterized through the reaction of 3-oxo-arylhydrazonals with various active methylene nitriles using microporous zeolite as a green catalyst. The structure of the newly prepared heterocycles was determined using various spectral techniques such as MS, IR, NMR, and elemental analysis. The antibacterial activity of these compounds against Escherichia coli (E. coli) and Bacillus subtilis (B. subtilis) was evaluated, and it was found that all arylazo nicotinate compounds were highly effective against both gram-negative (E. coli) and gram-positive (B. subtilis) bacterial strains. The efficacy of the developed arylazo nicotinate derivatives as antimicrobial agents against E. coli and B. subtilis was evaluated using minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values. Density-functional theory (DFT) was employed to investigate the structure–activity relationships of recently synthesized compounds. Gaussian 09 software was utilized to compute various molecular properties, including the distribution of frontier molecular orbitals (FMO), the energy levels of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), the energy gap (Eg), as well as several biological activity descriptors such as ionization potential (IP), electron affinity (EA), chemical potential (μ), chemical hardness (η), electronegativity (χ), global softness (S), and electrophilicity index (ω). The results of the FMO calculations revealed that the arylazo nicotinates had effective charge separation and distinct HOMO/LUMO energy levels for each compound, as reflected by the different Eg values. The Eg values were found to have a strong correlation with the antibacterial efficacy against E. coli and B. subtilis. The highest and lowest efficacy among the molecules (3a-k) were observed for compounds 3b (Eg = 3.36 eV) and 3 k (Eg = 2.27 eV), respectively, while the highest and lowest efficacy among the molecules (5a-d) were observed for compounds 5d (Eg = 3.33 eV) and 5c (Eg = 2.94 eV), respectively.

PurposeThe Polygonum equisetifome is a prospective plant source of high protein, unsaturated fatty acids, and useful safe bioactive molecules. Therefore, the aim of this study was to optimize the ultrasonic aqueous extraction of phenols from P. equisetifome roots using Box-Behnken design based statistical modeling, and to evaluate the antioxidant and antibacterial efficiencies of P. equisetifome root extracts against pathogenic bacteria.MethodsIn this study, the box-behnken design was used to optimize the extraction of phenols. The extraction temperature (30–70°C), ultrasound assisted extraction (UAE) time (1–9 min), and liquid-solid ratio (35–45 mL/g) were investigated as the factors that influence the phenolic yield (Y1) and their DPPH (1,1-diphenyl-2-picrylhydrazyl) scavenging activity (Y2).ResultsThe optimal conditions for both responses were 50°C, 5 min, and 40 mL/g. At these conditions, Y1 reached its maximum to be 45.321 mg GAE/g dry weight and Y2 to be 120.354 μmol Trolox/g dry weight. The P. equisetifome roots contained water soluble phenol, high anthocyanin, and condensed tannins. Interestingly, the P. equisetifome extracts showed a relation to its antioxidant and antibacterial activities, FRAP (Ferric-reducing/antioxidant power), and ABTS scavenging activity were determined. The morphological and physico-chemical features of the extract were analyzed using SEM-EDX, FT-IR, and minimum inhibitory concentration (MIC) was analyzed against several pathogenic bacteria. The antibacterial activity of the extract showed that the extract is more efficient against Staphylococcus aureus, while the P. equisetifome extracts showed efficient MIC against S. aureus, followed by Bacillus cereus.SuggestionsThe relation of P. equisetifome extracts to its antioxidant, and antibacterial efficiencies open a new avenue of their potential uses in the food and pharmaceutical industries.

Jatropha curcas, has been established as a plant whose seeds contain a relatively high percentage of oil that is suitable for biodiesel production, among other industrial applications. Seed oil properties of J. curcas may vary depending on soils, age of plant, genotype of the plant, and agro-climatic conditions of a specific geographical region. Studies under such conditions have not yet been conducted. The present study was aimed at investigating the effects of genotype and age of the plant on the physicochemical properties of its seed oil. The seed oil was extracted using n-hexane as a solvent in the Soxhlet extraction apparatus from seed kernel collected from different genotypes and plants of different ages. Oil content in the kernel ranged from 49.78–53.75% (w/w) among the seed samples depending on genetic materials and plant age. The oil content showed very little but significant differences in density and specific gravity among the samples. The highest free fatty acid (FAA) was produced by the kernel oil of 3-year-old plants (7.78%), and 7- and 10-year-old plants gave the lowest FAA (1.26 and 1.31%, respectively). The kernel oil of 7-year-old plants produced the highest iodine value (93.60 mg/g oil) and the kernel oil of 3-year-old plants produced the lowest iodine value (61.10 mg/g oil). Kernel oil of 10-year-old plants gave the lowest (172.98 mg KOH/g) saponification value and 4-year-old Hybrid-3 gave the maximum value (209.97 mg KOH/g oil). The seed oil of Jatropha accessions showed very little difference (39.88–40.85 MJ/kg) for high heating values irrespective of their age. On the other hand, the cetane number varied from 55.32 to 59.58 in the oil samples. The age of plant and seed sources had a significant effect on seed oil content and the physio-chemical properties of Jatropha.

Rifaximin (RFX) is a non-absorbable antibiotic with broad-spectrum efficacy. It treats travelers’ diarrhea, irritable bowel syndrome, non-systematic bacterial diarrhea, bowel infections, overgrowth syndrome, and enteric infections. In this work, carbon dots prepared from Ziziphus spina-christi leaves’ powders are utilized as a green fluorometric biosensor for the assessment of RFX. The morphological lineaments of the prepared carbon dots were recognized by using TEM and SEM techniques. The prepared carbon dots manifest a fluorescence emission peak at 432 nm after an excitation fluorescence peak at 366 nm. The absorbance band of RFX (absorbance peaks at 370 nm and 443 nm) could be thoroughly overlapped with fluorescence excitation/emission bands of the produced carbon dots. A fluorometric tool has been designed and validated for the evaluation of RFX reliant on the inner filter effect methodology, in which the produced carbon dots act as an inner filter effect fluorophore and RFX as an inner filter effect absorber. The quenching degree in the fluorescence activity of the prepared carbon dots depended on the concentration of RFX. The analytical parameters were checked and directed for successfully applied assessment of RFX concentration in different pharmaceutical formulations. The proposed tool’s greenness and eco-friendliness profile was evaluated using the most recent greenness assessment tool, which is the complementary green analytical procedure index (Complex-GAPI) and the Analytical GREEnness metric (AGREE). Additionally, using the recently released White Analytical Chemistry (WAC) tool, the whiteness characteristic—which indicated the method’s sustainability—was investigated.

The worldwide crises from multi-drug-resistant (MDR) bacterial infections are pushing us to search for new alternative therapies. The renewed interest in medicinal plants has gained the attention of our research group. Tamarindus indica L. (T. indica) is one of the traditional medicines used for a wide range of diseases. Therefore, we evaluated the antimicrobial activities of ethanolic extract of T. indica. The inhibitions zones, minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), and fractional inhibitor concentration indices (FICI) against Gram+ve and −ve pathogens were detected. The bioactive compounds from T. indica extract were identified by mass spectroscopy, thin-layer chromatography, and bio-autographic assay. We performed scanning electron microscopy (SEM) and molecular docking studies to confirm possible mechanisms of actions and antivirulence activities, respectively. We found more promising antimicrobial activities against MDR pathogens with MIC and MBC values for Staphylococcus aureus (S. aureus) and Pseudomonas aeruginosa (P. aeruginosa), i.e., (0.78, 3.12 mg/mL) and (1.56, 3.12 mg/mL), respectively. The antimicrobial activities of this extract were attributed to its capability to impair cell membrane permeability, inducing bacterial cell lysis, which was confirmed by the morphological changes observed under SEM. The synergistic interactions between this extract and commonly used antibiotics were confirmed (FICI values < 0.5). The bioactive compounds of this extract were bis (2-ethylhexyl)phthalate, phenol, 2,4-bis(1,1-dimethylethyl), 1,2-benzenedicarboxylic acid, and bis(8-methylnonyl) ester. Additionally, this extract showed antivirulence activities, especially against the S. aureus protease and P. aeruginosa elastase. In conclusion, we hope that pharmaceutical companies can utilize our findings to produce a new formulation of T. indica ethanolic extract with other antibiotics.

Alzheimer’s disease is a major public brain condition that has resulted in many deaths, as revealed by the World Health Organization (WHO). Conventional Alzheimer’s treatments such as chemotherapy, surgery, and radiotherapy are not very effective and are usually associated with several adverse effects. Therefore, it is necessary to find a new therapeutic approach that completely treats Alzheimer’s disease without many side effects. In this research project, we report the synthesis and biological activities of some new thiazole-bearing sulfonamide analogs (1–21) as potent anti-Alzheimer’s agents. Suitable characterization techniques were employed, and the density functional theory (DFT) computational approach, as well as in-silico molecular modeling, has been employed to assess the electronic properties and anti-Alzheimer’s potency of the analogs. All analogs exhibited a varied degree of inhibitory potential, but analog 1 was found to have excellent potency (IC50 = 0.10 ± 0.05 µM for AChE) and (IC50 = 0.20 ± 0.050 µM for BuChE) as compared to the reference drug donepezil (IC50 = 2.16 ± 0.12 µM and 4.5 ± 0.11 µM). The structure-activity relationship was established, and it mainly depends upon the nature, position, number, and electron-donating/-withdrawing effects of the substituent/s on the phenyl rings.

Triazole-based thiosemicarbazone derivatives (6a–u) were synthesized then characterized by spectroscopic techniques, such as 1HNMR and 13CNMR and HRMS (ESI). Newly synthesized derivatives were screened in vitro for inhibitory activity against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes. All derivatives (except 6c and 6d, which were found to be completely inactive) demonstrated moderate to good inhibitory effects ranging from 0.10 ± 0.050 to 12.20 ± 0.30 µM (for AChE) and 0.20 ± 0.10 to 14.10 ± 0.40 µM (for BuChE). The analogue 6i (IC50 = 0.10 ± 0.050 for AChE and IC50 = 0.20 ± 0.050 µM for BuChE), which had di-substitutions (2-nitro, 3-hydroxy groups) at ring B and tri-substitutions (2-nitro, 4,5-dichloro groups) at ring C, and analogue 6b (IC50 = 0.20 ± 0.10 µM for AChE and IC50 = 0.30 ± 0.10 µM for BuChE), which had di-Cl at 4,5, -NO2 groups at 2-position of phenyl ring B and hydroxy group at ortho-position of phenyl ring C, emerged as the most potent inhibitors of both targeted enzymes (AChE and BuChE) among the current series. A structure-activity relationship (SAR) was developed based on nature, position, number, electron donating/withdrawing effects of substitution/s on phenyl rings. Molecular docking studies were used to describe binding interactions of the most active inhibitors with active sites of AChE and BuChE.

Herbal products are a major source of herbal medicines and other medicines. Essential oils have shown various pharmacological activities, such as antiviral activity, and therefore are proposed to have potential activity against SARS-CoV-2. Due to their lipophilicity, essential oils can easily penetrate the viral membrane and cause the viral membrane to rupture. In addition, crude essential oils usually have many active constituents that can act on different parts of the virus including its cell entry, translation, transcription, and assembly. They have further beneficial pharmacological effects on the host’s respiratory system, including anti-inflammatory, immune regulation, bronchiectasis, and mucolytics. This review reported potential essential oils which could be promising drugs for COVID-19 eradication. Essential oils have many advantages because they are promising volatile antiviral molecules, making them potential drug targets for the prevention and treatment of COVID-19, whether used alone or in combination with other chemotherapeutic drugs. The aim of the current review is to shed light on the potential essential oils against enveloped viruses and their proposed activity against SARS-CoV-2 which is also an enveloped virus. The objectives were to present all data reflecting the promising activities of diverse essential oils against enveloped viruses and how they could contribute to the eradication of COVID disease, especially in indoor places. The data collected for the current review were obtained through the SciFinder database, Google scholar, PubMed, and Mendeley database. The data of the current review focused on the most common essential oils which are available in the pharmaceutical market and showed noticeable activities against enveloped viruses such as HSV and influenza.

Diabetes mellitus is one of the most chronic metabolic diseases. In the past few years, our research group has synthesized and evaluated libraries of heterocyclic analogs against α-glucosidase and α-amylase enzymes and found encouraging results. The current study comprises the evaluation of benzimidazole-bearing thiosemicarbazone as antidiabetic agents. A library of fifteen derivatives (7–21) was synthesized, characterized via different spectroscopic techniques such as HREI-MS, NMR, and screened against α-glucosidase and α-amylase enzymes. All derivatives exhibited excellent to good biological inhibitory potentials. Derivatives 19 (IC50 = 1.30 ± 0.20 µM and 1.20 ± 0.20 µM) and 20 (IC50 = 1.60 ± 0.20 µM and 1.10 ± 0.01 µM) were found to be the most potent among the series when compared with standard drug acarbose (IC50 = 11.29 ± 0.07 and 11.12 ± 0.15 µM, respectively). These derivatives may potentially serve as the lead candidates for the development of new therapeutic representatives. The structure–activity relationship was carried out for all molecules which are mainly based upon the pattern of substituent/s on phenyl rings. Moreover, in silico docking studies were carried out to investigate the active binding mode of selected derivatives with the target enzymes.