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A new set of andrographolide‐appended hydrazide derivatives (AFC, AGC, and ATC) were prepared from the reaction of andrographolide with furan‐2‐carboxylic acid hydrazide (AFC), pyridine‐3‐carboxylic acid hydrazide (AGC), and thiophene 2‐carboxylic acid hydrazide (ATC), and their corresponding ruthenium(II) complexes (Ru‐AFC, Ru‐AGC, and Ru‐ATC) were synthesized by the direct reaction of [RuCl2(η6‐p‐cymene)]2 with ligands in dichloromethane under stirring condition. The compounds were analyzed by elemental analysis, IR, UV‐Vis, 1H NMR, and ESI‐MS spectrometric techniques, and the obtained spectral data revealed that the ligands coordinated to Ru(II) ion through their enone oxygen and amine nitrogen. Antioxidant activities of the ligands and complexes were calculated against DPPH•, ABTS•+, O2−, and NO• free radicals and their results were compared with standard antioxidants. The cytotoxic activity of the synthesized ligands and complexes toward A549 and HeLa cell lines was evaluated using MTT method (MTT = 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide). Among the compounds, the complex Ru‐AGC showed better cytotoxic effect against A549 and HeLa cancer cells with IC50 values of 4.75 ± 0.17 and 6.32 ± 0.26 μM, respectively. Further, the nontoxic nature of the compounds was confirmed by using human umbilical vein endothelial (HUVEC) cells. The apoptosis was inspected with AO/EB and DAPI staining methods; further, the percentages of the apoptotic and necrotic cells were determined by flow cytometry. Overall, the biological activities of our ruthenium(II)‐arene complexes were found to be more potent than their parent ligands due to chelation, and among the complexes, Ru‐AGC showed better activity due to the presence of pyridine ring in the N‐terminal position of the ligand. The obtained results highlighted the strong possibility to develop highly active ruthenium complexes as anticancer agents. [ABSTRACT FROM AUTHOR]

New palladium(II) complexes containing coumarin derivatives such as (E)-3(2-(2-(1-(2-oxo-2H-chromen-3-yl)ethylidene)hydrazinyl)oxazol-4-yl)-2H-chromen-2-one (HL1), (E)-7-hydroxy-3(2-(2-(1-(2-oxo-2H-chromen-3-yl)ethylidene)hydrazinyl)oxazol-4-yl)-2H-chromen-2-one (HL2) were successfully designed and synthesized from the reaction of K2[PdCl4] with ligands HL1&2 with in Methanol medium. The ligands and complexes were characterized by various analytical and spectral techniques such as FT-IR, UV–Vis, 1H NMR and 13C NMR spectral techniques. From the spectral data we confirmed that the ligands neutrally coordinated with Pd(II) ion via their lactone oxygen, azomethine nitrogen and oxazolyl ring nitrogen atoms. The electrolytic nature of the complexes was confirmed by using conductivity experiments. Further anticancer activity of the compounds has examined with HeLa (human cervical cancer) cells along with the cisplatin as positive control and the obtained results revealed that the complexes possess significant anticancer activity and non-toxic towards HUVEC (human umbilical vein endothelial) cells. [ABSTRACT FROM AUTHOR]

AbstractThe present research was carried out to look into therapeutic insight of biosynthesized silver nanoparticles (AgNPs) by leaf extract of Byttneria herbacea Roxb (BH). The analysis of biosynthesized BH-AgNPs by UV-visible spectroscopy shows an intense surface plasmon resonance (SPR) peak at 422 nm initially and 437 nm after 30 min which certainly reveals the formation of BH-AgNPs. Fourier Infra-red Spectroscopy (FT-IR) reveals that BH-AgNPs are biosynthesized by using different bioactive compounds like O-H stretch of free hydroxyl alcohol and phenols, N-H bond of primary amines present in the leaf extract. Transmission Electron Microscope (TEM) analysis revealed that BH-AgNPs are almost spherical in nature with an average size range from of 2 nm to 12 nm. The particle size analysis by Dynamic Light Scattering (DLS) reveals that the BH-AgNPs are poly-dispersed in nature with an average size of 8 nm ± 2 nm, with a negative zeta potential value of −21 mV which reveals the biosynthesized BH-AgNPs are very stable. The BH-AgNPs (Byttneria herbacea -AgNPs) revealed excellent free radical scavenging activity and exceptional antimicrobial activity. The anti-proliferative and cytotoxic studies in KB oral cancer cells revealed biosynthesized BH-AgNPs can employ as future novel therapeutic agents in cancer treatment and other biomedical applications.

The present research was carried out to look into therapeutic insight of biosynthesized silver nanoparticles (AgNPs) by leaf extract of Byttneria herbacea Roxb (BH). The analysis of biosynthesized BH-AgNPs by UV-visible spectroscopy shows an intense surface plasmon resonance (SPR) peak at 422nm initially and 437nm after 30 min which certainly reveals the formation of BH-AgNPs. Fourier Infra-red Spectroscopy (FT-IR) reveals that BH-AgNPs are biosynthesized by using different bioactive compounds like O-H stretch of free hydroxyl alcohol and phenols, N-H bond of primary amines present in the leaf extract. Transmission Electron Microscope (TEM) analysis revealed that BH-AgNPs are almost spherical in nature with an average size range from of 2nm to 12nm. The particle size analysis by Dynamic Light Scattering (DLS) reveals that the BH-AgNPs are poly-dispersed in nature with an average size of 8 nm ± 2 nm, with a negative zeta potential value of -21mV which reveals the biosynthesized BHAgNPs are very stable. The BH-AgNPs (Byttneria herbacea -AgNPs) revealed excellent free radical scavenging activity and exceptional antimicrobial activity. The anti-proliferative and cytotoxic studies in KB oral cancer cells revealed biosynthesized BH-AgNPs can employ as future novel therapeutic agents in cancer treatment and other biomedical applications. [ABSTRACT FROM AUTHOR]

Three new complexes containing 2‐thiophenylterpyridine (TP) ligand, namely, [Co(stpy)2]Cl2 (Co‐TP), [Ni(stpy)Cl2]2 (Ni‐TP) and [Pd(stpy)Cl]Cl (Pd‐TP) were synthesized and subsequently characterized employing various spectroscopic techniques including UV–Visible, IR, 1H NMR, EPR, and ESI‐MS analysis. ESI‐MS spectra suggested the complexes Co‐TP and Ni‐TP to be six coordinated with two ligand units and the complex Pd‐TP to be a four‐coordinated mononuclear square planar complex. The dimeric nature of the complex Ni‐TP (M2L2Cl4) was established by X‐ray diffraction analysis, which confirmed the bridging of two nickel centers by two chloride ions. The ligand and complexes were assessed for their cytotoxic behavior by using MTT colorimetric assay. The compounds TP, Co‐TP, Ni‐TP and Pd‐TP displayed significant antiproliferative activity on A549 (human lung carcinoma) and MM2 (human breast cancer) cell lines and had no toxic effect on human normal embryonic kidney cells (HEK 293). Further, the morphological changes associated with MM2 and A549 cells triggered by the tested compounds due to apoptosis have been validated with the help of AO‐EB and DAPI staining assays. [ABSTRACT FROM AUTHOR]

This article presents the results of in vitro experiments on the cytotoxic potential of ethanol extracts from 8 lichen species, Cetraria islandica , Cladonia arbuscula , C. digitata , C. gracilis , C. rangiferina , C. uncialis , Platismatia glauca and Pseudevernia furfuracea , against 5 human cancer cell lines - MCF-7, Caco-2, SK-mel-28, U87MG and Jurkat. The potential of the re-dissolved and then tested extracts was determined by means of TPC, free radical scavenging activity in ABTS•+, superoxide and hydroxyl tests, copper ion reduction activity, and chelating ability of ferrous ion. The highest TPC (114.29 mg GAE/g), ABTS•+ (440.61 mmol TE/100 g) and hydroxyl (IC 50 : 0.71 mg/mL) radical scavenging activities tests was obtained for the Pseudevernia furfuracea extract, and for the superoxide radical scavenging activity test (IC 50 : 0.98 mg/mL), the highest potential was found for the extracts from P. furfuracea and Cladonia digitata , and for the copper ion reduction activity (88.15 mmol TE/100 g) and chelating ability of ferrous ion (IC 50 : 1.83 mg/mL) tests, the highest potential was shown for the extract from C. digitata. In the cytotoxicity tests, the strongest potential was shown by the P. furfuracea extract against the MCF-7 (IC 50 : 110.84 μg/mL), Caco-2 (IC 50 : 123.86 μg/mL) and U87MG (IC 50 : 107.43 μg/mL) cancer cell lines. A wound scratch test against the MCF-7 using Pseudevernia furfuracea extract showed a 50% reduction in tumor cell proliferation. The qualitative - 28 secondary metabolites from depside and depsidones classes - and quantitative profile of lichen extracts was analyzed by UPLC-Q-TOF-MS/MS. [Display omitted] • Anticancer potential of ethanol-extracted metabolites of common lichens. • Five human cancer cell lines were susceptible in vitro studies. • The highest potential for Pseudevernia furfuracea extract against MCF-7 cell line. • Wound scratch assay showed 50% reduction of proliferation MCF-7 cell line. [ABSTRACT FROM AUTHOR]

In the present study, catechin was successfully grafted in reduced graphene oxide Zinc oxide (rGO/ZnO) nanocomposite by solvent free hydrothermal method. Absorption spectra at 207 and 280 nm confirms the formation of Catechin overlaid rGO/ZnO nanocomposite (Ca@rGO/ZnO NCs). Characterization of Ca@rGO/ZnO NCs revealed the presence of hexagonal wurtzite structure with aggregated morphology and size of 111.7 nm which is suitable for cellular entry. Enhanced release of drug catechin was observed (74.60 ± 0.55%) at acidic pH within 24 h. 3-(4,5-Dimethylthiazol-2-yl)-2,5-DiphenyltetrazoliumBromide and Lactate dehydrogenase assays revealed dose-dependent antiproliferative effect of Ca@rGO/ZnO NCs (IC50 value 17.02 ± 0.002 μg/ml) and cell membrane damage. Fluorescent microscopic studies revealed that nanocomposite enhanced the release of ROS level leading to transmembrane potential loss, enhancing cytochrome C release eventually mediating apoptosis. Antibiofilm studies revealed Ca@rGO/ZnO NCs exhibited drastic reduction in biofilm formation with IC50 value of 5 ± 0.25 μg/ml. Acridine orange/Ethidium bromide dual staining showed disruption in biofilm architecture with reduced microcolonies mostly dead cells in treated groups. In vitro toxicity studies depicted the biocompatible nature of Ca@rGO/ZnO NCs. Taken together the present study represents rGO/ZnO as suitable nanocarrier for catechin and Ca@rGO/ZnO NCs as an emerging paradigm for treatment of infectious disease and lung cancer. [ABSTRACT FROM AUTHOR]

The present study deals with the synthesis of (E)‐N'‐(2,5‐dimethoxybenzylidene)‐2‐hydroxybenzohydrazide, a hydrazone Schiff base ligand (HY) and its metal complexes [Co(HY)2, Ni(HY)2, Zn(HY)2].2H2O. The structure of the synthesized ligand was characterized by physico‐chemical analytical and spectral techniques. The electrochemical behavior of HY and its complexes were investigated by cyclic voltammetry. Infrared spectral data suggested that HY acts as a tridentate ligand with ONO as the donor atoms. Molar conductivity data showed that all the complexes were non‐electrolytic in nature and octahedral geometry of the complexes was confirmed by UV‐visible spectrum. TGA studies of the complexes gave a clear idea about the coordination sphere and the process of degradation. Further, HY and its complexes were screened for their in vitro antioxidant, antibacterial and anticancer activities. Among the synthesized complexes, Ni(II) and Zn(II) metal complexes showed prominent antioxidant activity investigated through their scavenging effect on DPPH radical, anticancer activity against MCF‐7 and HeLa cancer cells. The molecular docking into P53 cancer mutant protein (PDB ID: 5AB9) was done for the optimization of the investigated compounds as potential cancer cell inhibitors. The observed data infer that all the complexes show promising antimicrobial activity against all of the tested bacterial and fungal species compared to the parent ligand HY. [ABSTRACT FROM AUTHOR]

Herein, we present a comprehensive review focusing on synthetic strategies, detailed structural analysis, and anticancer activity investigations of complexes following the general formula [L n M(μ -diphosphine)M'L m ] where M = group 8 metal; M' = any transition metal; μ -diphosphine = bridging ligand; L n and L m = ligand spheres). Both homo- and heteromultimetallic complexes will be discussed in detail. We review in vitro , in vivo and in silico anticancer activity investigations, in an attempt to draw comparisons between the various complexes and derive structure-activity relationships (SAR). This review solely focuses on complexes falling under the general formula stated above that have been studied for their anticancer activities, other complexes falling into that scheme but which have not undergone anticancer testing are not included in this review. We compare the anticancer activities of these complexes to their mononuclear counterparts, and a positive control (cisplatin) when possible and present a summary of all existing data to date and attempt to draw some conclusions on the future development of these complexes. TOC graphic:. [Display omitted] • Group 8 homo- and heteromultimetallic complexes in anticancer studies. • Structure-activity relationships. • Effect of diphosphine bridge on activity. [ABSTRACT FROM AUTHOR]

The present investigation reports evaluation of phytochemical content, antimicrobial, antioxidant, antidiabetic and anticancer properties of the methanolic crude extracts prepared from Memecylon randerianum leaves. Qualitative evaluation showed the presence of carbohydrates, reducing sugars, alkaloids, phenols, flavonoids, cardiac glycosides, steroids, phytosterols, terpenoids, diterpenoids and coumarins. Quantitative estimation for phenols, flavonoids and alkaloids indicated total phenolic content 11.95 mg GAE/g, total flavonoid content 20.34 mg QE/g and total alkaloid content 316.68 mg AE/g dry weight of the crude extract respectively. The methanolic extract demonstrated effective antimicrobial activity against Escherichia coli, Staphylococcus aureus and Candida albicans. The preparation also demonstrated good antioxidant and antidiabetic activities. Anticancer activity was evaluated against breast (MCF), oral (KB) and lung (A-549) cancer cell lines and the respective IC50 values were found to be 159.81 ± 7.54 µg/mL, 240.21 ± 2.57 µg/mL and 124.17 ± 2.10 µg/mL which are comparable to IC50 values of Paclitaxel. [ABSTRACT FROM AUTHOR]

Crystalline hydroxyapatite were synthesized from synthetic/human urine through precipitation which were further doped with silver nanoparticle for effective biomedical application. The aim were to improve overall biological compatibility of the synthesized bone-graft material even in oncogenesis cases. The thermal calcinated material was characterized by several techniques including UV–vis, Laser Raman, Fourier transmittance infrared spectroscopy, X-ray diffraction analysis, Transmission Eelectron microscopy and X-ray fluorescence spectroscopy. The quantitative and qualitative analysis revealed that the synthesized material was highly crystalline and nanosized with majority of silver and phosphate components. The antibacterial, anticancer and invitro cytotoxicity of the synthesized material was evaluated with Escherichia coli, Hela cells and brine shrimp assay, respectively. The brine shrimp assay revealed that the synthesized material is compatible with biological system, whereas anticancer activity showed the application of the synthesized biomaterial in cancer treatment in which antibacterial activity adds more advantage on preventing the bone-graft from microbial attack.

The present research work depicts a cinch and economical synthesis of silver nanoparticles (AgNPs) phytofabricated utilizing leaf extract of Simarouba glauca and aerial extract of Celastrus paniculatus. Fourier transform infrared spectroscopy (FTIR) analysis displayed the synthesized AgNPs capped with bio-constituents existent in these medicinal plants marked by their functional groups. The morphological features of prepared NPs were characterized by employing X-ray Diffraction (XRD), Scanning Electron Microscope with Energy Dispersive spectra (SEM–EDX) and Transmission Electron Microscope (TEM) analysis illustrated their spherical shape and ~ 40 nm particle size. Green synthesized AgNPs were assessed for their antioxidant potential by free radical scavenging assays; and antibacterial efficacy. The phytofabricated AgNPs were found to induce cell growth arrest in MCF-7 and HT-29 cell lines with an IC50 value of 70.84 ± 0.67 and 158.24 ± 0.89 µg/mL for AgNPs prepared using S. glauca (Ag-SG) while 207.19 ± 0.64 and 221.22 ± 0.57 µg/mL for AgNPs synthesized using C. paniculatus (Ag-CP) in dose-proportional relation. The same samples could not effectively prohibit the growth of immortalized normal human breast epithelial cell lines (MCF-10A). The cytotoxicity induced by apoptosis was further confirmed by fluorescent images. The synthesized nanoparticles also demonstrated less hemolysis efficiency and are evidenced by SEM images. The analyses indicate the potent antioxidant and antiproliferative capacity of stable green synthesized AgNPs derived from the mentioned exorbitant curative herbs. [ABSTRACT FROM AUTHOR]

[Display omitted] • Compound XYL-1 is a potent PARP7 inhibitor (IC 50 = 0.6 nM). • Compound XYL-1 has a weak inhibitory effect on PARP1 (IC 50 > 1.0 μM). • Compound XYL-1 at a dose of 50 mg/kg administered orally twice daily, resulting in a tumor growth inhibition rate of 76.5 %. • Compound XYL-1 restored the type Ⅰ interferon signaling pathway and facilitated T -cell infiltration into tumor tissues in CT26 tumor-bearing mice. PARP7 has been proven to play an important role in immunity. Substantial upregulation of PARP7 is observed in numerous cancerous cell types, consequently resulting in the inhibition of type Ⅰ interferon signaling pathways. Therefore, inhibiting the activity of PARP7 can enhance type Ⅰ interferon signaling to exert an anti-tumor immune response. In this study, we reported the identification of a newly found PARP7 inhibitor (XLY-1) with higher inhibitory activity (IC 50 = 0.6 nM) than that of RBN-2397 (IC 50 = 6.0 nM). Additionally, XYL-1 displayed weak inhibitory activity on PARP1 (IC 50 > 1.0 μM). Mechanism studies showed that XYL-1 could enhance the type Ⅰ interferon signaling in vitro. Pharmacodynamic experiments showed that 50 mg/kg XYL-1 could significantly inhibit tumor growth (TGI: 76.5 %) and related experiments showed that XYL-1 could restore type Ⅰ interferon signaling and promote T cell infiltration in tumor tissues. Taken together, XYL-1 shows promise as a potential candidate for developing cancer immunotherapy agents. [ABSTRACT FROM AUTHOR]

Three triorganotin (IV) cyclopentane carboxylates were synthesized and structurally characterized by in solid state by Fourier‐transform infrared spectroscopy and single crystal diffraction, and in solution by NMR (1H, 13C, and 119Sn) spectroscopy. The complexes were tested for their anticancer activity against MCF‐7 and HeLa cells along with normal BHK‐21 cells. As revealed by MTT assay, complex 2 was identified as the most potent derivative with an IC50 value of 2.59 and 0.051 μM against HeLa and MCF‐7 cells, respectively. The results were compared with cisplatin as reference drug. Fluorescent microscopic studies using 4′,6‐diamidino‐2‐phenylindole (DAPI) and propidium iodide (PI) staining confirmed the occurrence of apoptosis in HeLa cells treated with the most active complex 2. The complex 2 also triggered the release of lactate dehydrogenase (LDH) in treated HeLa and MCF‐7 cells whereas a luminescence assay displayed a remarkable increase in the activity of caspase‐9 and ‐3. Moreover, flow cytometric results revealed that complex 2 caused G0/G1 arrest in the treated HeLa cells. The complexes were further screened for DNA binding studies through UV‐vis spectroscopy and cyclic voltammetry. The high activity of complex 2 was attributed to its higher Lewis acidity as indicated by natural bond orbital (NBO) analysis. Theoretical modelling and molecular docking studies were also conducted to study the reactivity of complexes against VEGFR 2 Kinase. [ABSTRACT FROM AUTHOR]

Cupric oxide nanoparticles (CuO NPs) were phytofabricated utilizing leaf extract of Simarouba glauca and aerial extract of Celastrus paniculatus and are considered to hold excellent anticancer capability. Synthesized CuO NPs were characterized for their morphology, crystallinity, and structure. The presence of functional groups of phytochemicals on synthesized nanoparticles was validated by Fourier transform infrared spectroscopy (FTIR) analysis. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) examination reveal the uniform distribution of particles and the average particle size is 35 nm. The anticancer activities on MCF-7 and HT-29 cell lines revealed that CuO NPs synthesized using leaf extract of S. glauca (CuO-SG) induced cell death with half-maximal inhibitory concentration (IC50) value of 107.56 µg/mL and 208.57 µg/mL, while CuO NPs synthesized using the aerial extract of C. paniculatus (CuO-CP) indicated IC50 values of 97.39 µg/mL and 205.11 µg/mL, respectively. To be more precise for anti-cancerous effect, the molecular mechanism was examined in MCF-7 cell line treated with CuO-CP NPs by cell cycle analysis that depicted 75.28% of cell arrest in Sub G0/G1 phase and 71.29% of cells were gated in the late apoptotic phase of Annexin V and propidium iodide (PI) compared to control cells. The present work reports in vivo antitumor studies of CuO-CP NPs against Ehrlich ascites carcinoma (EAC) bearing C57 mice for the first time and was examined by variations in growth parameters, biochemical assays, hematological profile, and histopathological analysis. CuO-CP NPs could eliminate oxidants like lactoperoxidase and myeloperoxidase, stimulate reduced glutathione, restore the hematological profile and increase the life span of tumor-bearing mice treated by them in comparison with control. [ABSTRACT FROM AUTHOR]

In this research article, the synthesis, structural characterization, and biological, DNA binding and anticancer properties of pyrimidine incorporated Schiff base ligand L and its [CuL2](ClO4)2 (1) and [ZnL2](ClO4)2 (2) complexes are reported. The isolated complexes 1 and 2 have significant antibacterial and antifungal properties, greater than those of ligand L. The interaction between protein and L were analyzed by an in silico method. The intercalative binding of the prepared compounds was proved from electronic absorption, fluorometric, cyclic voltammetric and viscometric methods. The calculated binding parameters such as, Kb (2.65×103, L; 7.74×103, 1 and 2.99×103, 2); Ksv (3.30×103, L; 4.31×103, 1 and 3.89×103, 2), and Kapp (2.15×105, L; 3.30×105, 1 and 2.82×105, 2) indicted that complex 1 has better interaction ability than L and complex 2. The in vitro anticancer properties of L, and complexes 1 and 2 against human cancer (MCF-7, HeLa and HEp-2) and normal (NHDF) cell lines were determined by the MTT assay method. The obtained results designated that complexes 1 and 2 exhibited substantial anticancer activity against the cancer cell lines, better than that of L.

Herein we report the regioselective synthesis of podophyllotoxin-Glycosyl triazole hybrids catalysed by Ag(I)-N-heterocyclic carbene (Ag(I)-NHC) in a short reaction time (∼30 min) at ambient conditions. In principle, it is the first report of Click alkyne-azide cycloaddition catalysed by Ag(I)-NHC catalyst and moreover, this new methodology yielded good results when compared with traditional CuAAC in terms of reaction time and selectivity. The synthesised compounds were further explored for in vitro anticancer activity against four human cancer cell lines Du145, HeLa, A-549, and MCF-7 and found that these synthesised compounds possess significant anticancer activity. Further, the compounds 5a and 5e were identified as promising leads due to their better activity across all cell lines than that of the standard drug etoposide. Molecular docking studies of 5a & 5e with DNA Topoisomerase-II were revealed that the free energy calculations of active compounds were in good agreement with observed IC50 values. [ABSTRACT FROM AUTHOR]

The effect of thienyl vs. phenyl rings on the porphyrin periphery towards DNA interaction abilities was studied using UV–Vis, fluorescence spectroscopic titrations and gel electrophoresis assay; also, anticancer activities and cell apoptosis, visualized by fluorescence imaging, were investigated. A new series of trans -dicationic pyridinium porphyrins, 5,15-di(2/3-thienyl)-10,20-bis(3′/4′ -N- methylpyridinium)porphyrins (5a – 8a), and their copper(II) and zinc(II) derivatives were synthesized in good yield. The compounds were characterized by various spectroscopic methods, together with electrochemical and single crystal X-ray crystallographic studies. Additionally, we evaluated the DNA interaction abilities of the trans -dicationic porphyrins using UV–Vis and fluorescence spectroscopic titrations and the results revealed that the porphyrins interact strongly with calf thymus DNA by the outside groove binding mode with self-stacking. The highest intrinsic binding constant of 2.90 ± 0.2 × 106 M−1 was obtained for the freebase porphyrin (8a), containing 4-pyridinium and 3-thienyl moieties. The photocleavage experiments disclose that the porphyrins employ an 1O 2 -mediated mechanism in cleaving DNA. The dicationic porphyrins also show significant anticancer activities and the induced cell apoptosis was visualized by fluorescence imaging. [ABSTRACT FROM AUTHOR]

Ta 2 O 5 nanoparticles were synthesized by ultrasound-assisted method. The prepared nanoparticles were characterized structurally by XRD, Raman and morphologically by SEM and TEM. From the XRD pattern, orthorhombic phase Ta 2 O 5 was observed. Raman studies confirm the presence of Ta O at 613 cm−1. TEM images show the average particle size of about 21 nm. Band gap of Ta 2 O 5 nanoparticles were carried out by UV-DRS and found to be 3.12 eV. Photocatalytic activity of Ta 2 O 5 nanoparticles have been examined for the degradation of methylene blue dye and shows 96% degradation after 2 h under visible light irradiation. Ta 2 O 5 nanoparticles also exhibited good antibacterial activity against the foodborne pathogens and anti-breast cancer (MCF-7: IC 50 : 45.04 μg/mL) activity. • Ta 2 O 5 nanoparticles were prepared by the ultrasonic-assisted method. • Ta 2 O 5 nanoparticles shows good Photocatalytic activity for the degradation of methylene blue. • It exhibits good antibacterial activity (foodborne pathogens). • It is used as an efficient anticancer therapeutic agent against human breast cancer cell line (MCF 7). [ABSTRACT FROM AUTHOR]

• Regioselective synthesis and spectral correlated DFT studies of 1 H -indenopyrazoles. • SC-XRD and molecular interactions of enaminone and indenopyrazole. • Anti-proliferative activity against adenocarcinoma (A549) cell lines. • Cell cycle analysis and Annexin-V FITC (apoptosis) assay. • Pharmacokinetic and molecular docking studies of indenopyrazole derivatives. L-Proline catalyzed condensation of 1-indanones with DMF-DMA (N,N-dimethylformamide dimethyl acetal) resulted in (Z)-2-((dimethylamino)methylene-2,3-dihydro-1H-inden-1-ones 2 instead of their E -isomers 3, which is further regioselectively transformed into 1-aryl-2,4-dihydroindeno[1,2-c]pyrazole 4 rather than 2-aryl-2,4-dihydroindeno[1,2-c]pyrazoles 5 by condensing with aryl hydrazines. Spectrochemical characterizations and single crystal X-ray diffraction studies were used to resolve syntactic ambiguity between the possible geometric isomers of enaminones (E & Z) and regioisomers 1 H -indenopyrazole and 2 H -indenopyrazoles. The experimental findings were correlated with computed values and have shown good correlation with the proposed structures. The synthesized indenopyrazoles 4a–f were tested for their ability to inhibit the proliferation of A549 human lung cancer cell lines, and the compound 4b have showed IC 50 value 13.77 µM comparable to the reference medication erlotinib (10.26 µM). The complete cell cycle analysis have revealed the accumulation of mitotic cells in G1/S phase. The flow cytometric analysis also revealed the increase in apoptotic cells indicating tumor suppression by the derivative 4b. To get insight into the interactions of the compound and EGFR tyrosine kinase protein molecular docking was performed. Also, pharmacokinetic profiling revealed about the oral compatibility of the synthesized compounds. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] The development of effective anticancer strategies and the improvement of our understanding of cancer need analytical tools. Utilizing a variety of analytical approaches while investigating anti-cancer medicines gives us a thorough understanding of the traits and mechanisms concerned to cancer cells, which enables us to develop potent treatments to combat them. The importance of anticancer research may be attributed to various analytical techniques that contributes to the identification of therapeutic targets and the assessment of medication efficacy, which are crucial things in expanding our understanding of cancer biology. The study looks at methods that are often used in cancer research, including cell viability assays, clonogenic assay, flow cytometry, 2D electrophoresis, microarray, immunofluorescence, western blot caspase activation assay, bioinformatics, etc. The fundamentals, applications, and how each technique analytical advances our understanding of cancer are briefly reviewed. [ABSTRACT FROM AUTHOR]

• Fluorene based benzhydrazone derivatives formed bidentate neutral complexes. • Complexes 3 and 5 shows better antibacterial activity for bacterial strains. • Complex 9 having hydroxyl moiety possesses cytotoxicity comparable with cisplatin. A convenient synthesis of twelve complexes (1–12) of ruthenium(II), rhodium(III) and iridium(III) containing fluorenyl benzohydrazone ligands having the general formula [(arene)M(L)Cl] (arene: benzene/ p -cymene/Cp*; l -bidentate substituted benzoyl hydrazone derivatives) has been carried out. The characterization of the complexes has been done by FT-IR, UV–Vis, NMR and X-ray crystallographic studies. The metal complexes exhibit N∩O binding mode through the azomethine nitrogen and the imidolate oxygen forming a five-membered chelating ring. All the compounds were tested for their antibacterial properties against three strains of bacterial microorganisms - Staphylococcus aureus (+ve), Klebsiella pneumoniae (-ve) and Escherichia coli (-ve). In-vitro assay results further revealed that complexes 4 and 6 significantly act against Gram-positive (Staphylococcus aureus) and Gram-negative (E. coli and Klebsiella pneumoniae). An in-vitro assessment of the cytotoxic effects of both the complexes and ligands was performed, and the findings indicate that complex 9 exhibited the most promising results with the lowest IC 50 value in terms of cell viability percentage against HeLa cell lines. These results highlight the potential of further investigating the anticancer properties of this particular complex. [Display omitted] [ABSTRACT FROM AUTHOR]

Cu(II) and Zn(II) morpholinyldithiocarbamato complexes, formulated as [Cu(MphDTC)2] and [Zn(μ-MphDTC)2(MphDTC)2], where MphDTC is morpholinyldithiocarbamate were synthesized and characterized by elemental analysis, spectroscopic techniques and single-crystal X-ray crystallography. The molecular structure of the Cu(II) complex revealed a mononuclear compound in which the Cu(II) ion was bonded to two morpholinyl dithiocarbamate ligands to form a four-coordinate distorted square planar geometry. The molecular structure of the Zn(II) complex was revealed to be dinuclear, and each metal ion was bonded to two morpholinyl dithiocarbamate bidentate anions, one acting as chelating ligand, the other as a bridge between the two Zn(II) ions. The anticancer activity of the morpholinyldithiocarbamate ligand, Cu(II) and Zn(II) complexes were evaluated against renal (TK10), melanoma (UACC62) and breast (MCF7) cancer cells by a Sulforhodamine B (SRB) assay. Morpholinyldithiocarbamate was more active than the standard drug parthenolide against renal and breast cancer cell lines, and [Zn(μ-MphDTC)2(MphDTC)2] was the most active complex against breast cancer. The copper(II) complex had a comparable activity with the standard against renal and breast cancer cell lines but showed an enhanced potency against melanoma when compared to parthenolide.

The new cyclodiphosph(V)azane derivatives (1,3-dimethyl-2,4-dioxo-2',4'-bis(2,4-bis(dimethylaminopropylimino)cyclodiphosph(V)azane (H2L1) (1,3-dimethyl-2,4-dioxo-2',4'-bis(2,4-bis(dimethylaminoethylimino)cyclodiphosph(V)azane (H2L2) and (1,3-dimethyl-2,4-dioxo-2'-(dimethylaminoethylimino)-4'-(dimethylaminopropyl-imino)cyclodiphosph(V)azane (H2L3) containing four active coordination centers (NNNN) and their Cu(II) complexes have been synthesized and characterized by elemental analyses, spectroscopic methods, molar conductance as well as thermal and magnetic measurements. The UV–Vis and mass spectra of the ligands and their Cu(II) complexes were also recorded. The copper(II) complexes were found to have magnetic moments of 1.58–1.69 B. M. corresponding to one unpaired electron. The possible geometries of the complexes were assigned on the basis of EPR, electronic, and infrared spectral studies. The absence of water molecules in all complexes was supported by thermal studies. All the thermal decomposition processes ended with the formation of CuO. The kinetic and thermodynamic parameters have been calculated. The ligand (H2L3) and its Cu(II) complexes were screened for their anticancer studies against human breast cancer cell lines MCF-7 and minimum inhibitory concentration was calculated. The screening was extended to the antibacterial activity using Kirby–Bauer single disk susceptibility test for all compounds. [ABSTRACT FROM AUTHOR]

Condensation of 3‐pyridine carboxaldehyde with 2/3‐thienyl dipyrromethanes in presence of acid catalyst gives 5‐(3′‐pyridyl)‐10,15,20‐tri(2/3‐thienyl)porphyrins (S1a and S2a) due to scrambling along with the expected trans‐porphyrins. The corresponding copper(II) and zinc(II) porphyrins were also synthesized. Moreover, to study their biological properties their cationic derivatives were obtained. All the complexes were characterized by UV‐Vis, fluorescence, NMR spectroscopy, mass spectrometry and cyclic voltammetry. The cationic porphyrins bind with DNA non‐intercalatively; show singlet oxygen mediated photocleavage; phototoxic to A549 lung cancer cells through apoptotic pathway. We explored the DNA interaction and human epithelial lung cancer cell toxicity of few mono‐cationic pyridinium porphyrins bearing thienyl substituents obtained via scrambling. All the complexes bind with DNA non‐intercalatively and show singlet oxygen mediated photocleavage. The intrinsic binding constants, Kb of these porphyrins to DNA was found to be in the order of 105 M‐1. Fluorescence imaging studies show that the porphyrins are phototoxic to A549 lung cancer cells through apoptotic pathway. [ABSTRACT FROM AUTHOR]

Novel Cu(II) ( 1 ) and Zn(II) ( 2 ) complexes with 4-(1-(4-morpholinophenyl)ethylideneamino)pyrimidine-5-carbonitrile) ( L ) have been synthesized and characterized by various spectroscopic and analytical techniques. DFT (density functional theory) studies result confirms that, LMCT mechanism have been done between L and M(II) ions. The antimicrobial studies indicate that the ligand L and complexes 1 & 2 exhibit higher activity against the E. coli bacteria and C. albicans fungi. The groove binding mode of ligand L and complexes 1 & 2 with CT-DNA have been confirmed by electronic absorption, competitive binding, viscometric and cyclic voltammetric studies. The electronic absorption titration of ligand L and complexes 1 & 2 with DNA have been carried out in different buffer solutions (pH 4.0, 7.0 & 10.0). The K b values of ligand L and complexes 1 & 2 are higher in acidic buffer at pH 4.0 ( K b = 2.42 × 10 5 , L ; 2.8 × 10 5 , 1 ; 2.65 × 10 5 , 2 ) and the results revealed that, the interaction of synthesized compounds with DNA were higher in the acidic medium than basic and neutral medium. Furthermore, CT-DNA cleavage studies of ligand L and complexes 1 & 2 have been studied. The in vitro anticancer activities results show that complexes 1 & 2 have moderate cytotoxicity against cancer cell lines and low toxicity on normal cell line than ligand L . [ABSTRACT FROM AUTHOR]

The newly designed Ag(I)-NHC and Pd(II)-NHC complexes (where NHC = N-heterocyclic carbene) bearing symmetrically and unsymmetrically nitrile functionalized have been synthesized, starting from the corresponding aliphatic nitrile functionalized benzimidazolium bromide salts. The resulting aliphatic nitrile functionalized benzimidazolium salts (1 and 2) were subsequently deprotonated with the basic metal source Ag2O by in situ deprotonation technique to obtain a mononuclear Ag(I)-NHC complexes (3 and 4). The mononuclear Pd(II)-NHC complexes (5 and 6) were prepared via transmetalation from their respective Ag(I)-NHC complexes, respectively. All compounds were characterized by elemental analyses, FT-IR, 1H- and 13C-NMR. Single crystal structural studies of Ag(I)-NHC complex revealed that the Ag(I) ion exhibits a linear geometry of quasi-parallel pairs of aromatic benzimidazole planes. The synthesized compounds were then screened for potential cytotoxicity on breast cancer cell line (MCF-7), using MTT assay. All the Ag(I)-NHC complexes show better activity with IC50 values ranging from 3.7 - 4.1 µM, while Pd(II)-NHC complexes show the IC50 values ranging from 13.9 - 14.2 µM in comparison with the standard drug, Tamoxifen (IC50 = 11.2 µM). All the respective benzimidazolium salts, however were found to be inactive. The anticancer activity is corresponding to the increasing lipophilicity order of the complexes as 5 < 6 < 3 < 4 (0.49, 0.56, 1.25 and 1.27, respectively). [ABSTRACT FROM AUTHOR]

Four new water soluble chromone appended copper(II) complexes of the type [Cu(L)Cl] were synthesized from CuCl 2 ·2H 2 O and 3-formylchromone-4 N -substituted thiosemicarbazones ( HL1–HL4 ). Characterization of the compounds was done by using analytical and spectral techniques such as elemental analyses, IR, UV–Visible, EPR and Mass spectrometry, which confirmed their formation. Single crystals suitable for X-ray diffraction were obtained for complex [Cu(L4)Cl], in which the ligand coordinated in a tridentate monobasic ONS donor fashion. The compounds strongly bound to CT-DNA (Calf Thymus DNA) through intercalation. BSA (Bovine Serum Albumin) and HSA (Human Serum Albumin) binding studies were carried out to check the binding ability of the compounds with protein and the mechanism of quenching was found to be static. The occurrence of microenvironmental change in protein was further confirmed by three dimensional (3D) fluorescence experiments. DNA cleavage experiments of the complexes showed that the complexes cleaved supercoiled DNA pBR322 without any external agent. The complexes have shown significant growth inhibitory activity against selected types of bacteria namely S. aureus , S. pneumonia , P. auroginosa , S. paratyphi and fungi namely C. albicans, T. rubrum, A. niger, A. fumigatus and C. tropicalis . Tests on cell proliferation of human lung cancer cell line (A549) and human breast cancer cell line (MCF-7) were performed for all the compounds. The new water soluble complexes overcome cisplatin resistance in the MCF-7 and A549 cell lines. All the compounds were found to be non-toxic against human normal keratinocyte cells (HaCaT). The biological studies indicated that the complex [Cu(L3)Cl] ( 3) exhibited better activity among the compounds and the complexes exhibited biological activity in the following order [Cu(L3)Cl] ( 3)  > [Cu(L2)Cl] ( 2)  > [Cu(L1)Cl] ( 1 ) > [Cu(L4)Cl] ( 4) . [ABSTRACT FROM AUTHOR]

A new potential ONS donor ligand N,N -diethyl- N ′-palmitoylthiourea (PACDEA) with the molecular formular C 21 H 42 N 2 OS has been synthesized and characterized by ESI-MS, UV, FTIR 1 H and 13 C NMR spectroscopy and single X-ray crystallography. The asymmetric molecules crystallized in the centrosymmetric structure of monoclinic crystal system with space group P 2 1 / c . In the crystal structure of the compound, molecules are linked in a continuous chain by intermolecular N H⋯O C hydrogen bonds, which stabilized the crystal structure. The palmitoyl moiety and N (2)-ethyl group lie on a plane, while the thiocarbonyl moiety is twisted and lying othorgonal to the plane. Non-covalent interaction (NCI) analysis on the hydrogen bonded solid state structure of the molecule revealed the presence of a significant number of non-covalent interactions including intermolecular hydrogen bonding interactions, C H --lone pair interactions, weak Van der Waals interactions, and steric/ring closure interactions. The NCI analysis also showed the presence of intramolecular stabilizing C H⋯O C and C H⋯S C interactions. Docking simulation revealed that the compound interacted favourably with ten selected validated anticancer drug targets, which is an indication that the compound could possess some anticancer properties. [ABSTRACT FROM AUTHOR]

N-substituted hydroxynaphthalene imino-oxindole derivatives ( 5a-g) were emerged as the inhibitors of the phosphoinositide 3-kinase ( PI3K), which is a crucial regulator of apoptosis or programmed cell death. Electron donor-/acceptor-substituted indole-imine ( 5a-g) was achieved, and the structures were elucidated by FTIR, 1H NMR, 13C NMR and HRMS. Inhibition potency of PI3Ks was assessed by competitive ELISA. Subsequently, an anticancer activity against breast cancer ( MCF-7) cell lines was evaluated. In both activities, compounds 5c, 5d and 5f showed most potent activities. Percentage inhibition for anticancer activity was 78.22 ± 1.02 ( 5c) and 78.98 ± 1.08 ( 5f), and the IC50 was 2.02 ± 0.92 μ m ( 5c) and 1.98 ± 0.18 μ m ( 5f). Compounds 5a and 5g were found inactive for both activities, and rest all showed a moderate activity. To get more insight into the binding mode and inhibitor binding affinity, 5a-g were docked into the active site of PI3Ks p110α ( PDB ID: 2 ENQ). Results suggested that the hydrophobic interactions in the binding pockets of PI3Ks conquered affinity of the most favourable binding ligands ( 5c and 5f: inhibitory constant ( ki) = 102.4 and 128.23 n m). The SAR studies demonstrate the efficiency of 5a-g as the PI3Ks precise inhibitors with the impending to treat various cancers. [ABSTRACT FROM AUTHOR]

A novel tridentate chelating ligand, Ethyl 2-(2-(2-chlorobenzoyl)hydrazono)propanoate and its late transition metal complexes were synthesized, characterized and evaluated for anticancer behavior. The structures were elucidated with the help of elemental analyses, spectral (vibrational, electronic, NMR and mass) and thermo-gravimetric techniques. Single crystal X-ray crystallographic studies of the ligand suggest an orthorhombic lattice structure with Pna21 space group. The interaction of ligand and complexes with DNA (CT-DNA) has been extensively studied using absorption, emission, viscosity and thermal denaturation studies with E. coli DNA. The DNA cleavage ability of ligand and metal complexes was tested using plasmid pBR322 DNA by gel electrophoresis method. The ligand and its copper complex have been evaluated for their in vitro anticancer activity against human cancer cells of different origin such as KB (Oral), A431 (Skin), Mia-Pa-Ca (Pancreases), K-549 (Lung), K-562 (Leukemia), MCF-7 (Breast) and VERO by MTT assay and the apoptosis assay was carried out with acridine orange/ethidium bromide (AO/EB) staining method. The studies suggest that ligand and copper complex exhibit significant cytotoxic activity on KB, MCF-7, A-431, Mia-Pa-Ca-2 an d A-549 cell lines compared to K-562 and VERO cell lines. [ABSTRACT FROM AUTHOR]

[Display omitted] • A new dimeric Lanthanum(III) complex with 1,10-phenanthroline is synthesized, and its X-ray crystal structure was analyzed. • Binding interactions of FS DNA and BSA are survived. • Antimicrobial studies of various bacteria are carried out. • In vitro cytotoxicity of La 2 (III) complex was performed in A-549 cell lines by the MTT method. UV–Vis and IR spectroscopy, elemental analysis, and X-ray crystallography are used to characterize a novel dimeric Lanthanum(III) complex with 1,10-phenanthroline (phen), [LaCl 2 (Phen) 2 -µ-Cl 2 - LaCl 2 (Phen) 2 ]. It is also being examined for its antibacterial, anticancer, and DNA (Fish Salmon DNA) and protein (Bovine Serum Albumin) binding properties. The title compound's crystals are triclinic, P 1 ¯ ; with a (Å) = 9.914(3), b (Å) = 10.927(3), c (Å) = 12.047(3), V (Å3) = 1151.7(5), α (°) = 84.797(5), β (°) = 77.224(4), γ (°) = 64.814(5), Z = 1 and D calc = 1.747 (g/cm3). It has a centrosymmetric binuclear [LaCl 2 (Phen) 2 (µ-Cl)] 2 unit (the two bridging chlorine atoms lie on an inversion center). The molecular modeling method was used to study the binding qualities both empirically and conceptually. Absorption and fluorescence spectroscopy methods were used to determine thermodynamic parameters, the binding constant (K b), and the possible binding process. With a binding constant (K b) of 1.78 × 105, the volume of binding to FS DNA supports groove binding, which is consistent with docking estimates. With a static technique, the as-synthesized complex efficiently suppressed BSA emission and was bound by K b = 1.17 × 105 at 298 K, demonstrating its high tendency for BSA contact via van der Waals force and hydrogen bond. Antimicrobial testing on a variety of bacteria revealed that it has good antibacterial action. The MTT method was used to test the in vitro cytotoxicity of the La 2 (III) complex in A-549 cell lines, which exhibited considerable activity. [ABSTRACT FROM AUTHOR]

• A novel series of Schiff base (HDMPM) metal complexes were prepared and characterized. • The anticancer activity was evaluated against HepG2, A549, HCT116, and MCF-7 cancer cell lines. • The compounds were optimized by employing Gaussian16 program package with B3LYP functional incorporating dispersion with two different basis sets (LanL2DZ and 6–31G(d,p)). • The biological effectiveness of the studied compounds were assessed against SARS-CoV-2 Omicron variant (PDB ID: 7T9K) by using Autodock Vina software. A novel Schiff base (SB) ligand, abbreviated as HDMPM, resulted from the condensation of 2-amino-4-phenyl-5-methyl thiazole and 4-(diethylamino)salicyaldehyde, and its metal complexes with [Co(II), Cu(II), Ni(II), and Zn(II)] ions in high yield were formed. The physico-chemical techniques such as elemental analysis, molar conductance, IR, 1H and 13C NMR, mass spectroscopy, and electronic absorption studies were utilized to characterize the synthesized compounds. The studied compounds were examined for their possible anticancer activity against a number of human cancerous cell lines, including A549 lung carcinoma, HepG2 liver cancer, HCT116 colorectal cancer, and MCF-7 breast cancer cell lines, with doxorubicin serving as the standard. The study revealed that Zn(II) complex showed significant activity to inhibit growth of HepG2, MCF7, A549, and HCT116 cell lines by a factor of 88, 70, 75, and 70, respectively, when compared to untreated. In addition, the reported compounds were optimized by employing Gaussian16 program package with B3LYP functional incorporating dispersion with two different basis sets (LanL2DZ and 6–31G(d,p)). Moreover, Autodock Vina software was used to assess the biological effectiveness of the studied compounds against SARS-CoV-2 Omicron variant (PDB ID: 7T9K). [ABSTRACT FROM AUTHOR]

• New VO2+ complexes. • Cu2+single crystal. • 2,3,5,6-Tetra (pyridin-2-yl)pyrazine complexes. • Anticancer studies against PC-3, HCT-116, MCF-7, and hela cells. • Molecular docking of TPPZ and its Cu2+ and VO2+ complexes with HCT-116 cell colon cancer (3IG7) and MCF-7 breast cancer (3S7S). In continuation of our previous study to synthesize a series of novel complexes isolated from polypyridyl-azine as the main ligand (tetra-(2-pyridyl) pyrazine (TPPZ)) or in the presence of co-ligand, mono and polymetallic chelates such as [Cu(TPPZ)(SCN)Cl] (1) , [Ag 2 (TPPZ)(NO 3) 2 ]. H 2 O (2) and [(OsO 2) 3 (TPPZ)].2·5H 2 O.C 2 H 4 Cl 2 (3) were synthesized and characterized. In addition, a series of VO2+ complexes, [(VO) 2 (TPPZ)OH(SO 4) 0.5 ][(VO) 4 (OH) 10 ].H 2 O (4) , [(VO) 2 (TPPZ)EtOH.SO 4 ][(VO) 2 (SO 4) 3 dipy ].12.H 2 O (5) , and [VO(acac)(HTPPZ)]2Cl.CH 3 CN (6) was investigated in detail. Crystal data of Cu(II) complex (1) indicates monoclinic, P2 1 /a, a = 10.6983(3) Å, b = 19.9128(9) Å, c = 11.5958(5) Å, α = γ = 90.00° ≠ β = 108.819(3), V = 2338.2 (2) Å3 and Z = 4. The chelates were characterized by elemental analyses and spectral (FTIR, electronic, and EPR) studies. Also, cyclic voltammetry studies were investigated. The modeling study of TPPZ and their complexes were approved with the Gaussian09 program in DFT/B3LYP. Os4+ and VO2+-mono complexes show superiority as promising anticancer agent for the PC-3 cell lines. Molecular modeling is utilized to examine the molecular characteristics and binding propensity of ligands and their complexes with 3s7s and 3IG7 protein and to signify inhibitory strength. [ABSTRACT FROM AUTHOR]

The FT-IR, FT-Raman and UV–visible spectral analysis of 4-chloro 4’-methoxy benzylidene aniline were done experimentally and interpreted with the aid of normal coordinate analysis based on density functional theory (DFT) at the B3LYP/6–311++G (d, p) level of theory. Natural Bond orbital analysis was performed to understand the charge transfer interactions and reactive sites within the system. HOMO-LUMO analysis and first static and dynamic hyperpolarizability calculations were carried out in order to confirm the NLO activity of CMOBA. Photophysical characterization was done to understand the fluorescence emission and lifetime of CMOBA leading to application in blue OLEDs. The Molecular Electrostatic Potential Map was simulated to identify the active sites for electrophilic and nucleophilic attack or the active sites of the molecule which can bind to proteins. Molecular docking analysis revealed its potential as an inhibitor for different proteins which are responsible for cancer and many inflammatory diseases such as rheumatoid arthritis, inflammatory bowel disease, Crohn's disease and psoriasis. Experimental studies of invitro antiproliferative effect by MTT assay verified the anticancer properties of CMOBA. [ABSTRACT FROM AUTHOR]

Boronic acids constitute an important class of synthetic intermediates due to their high chemical stability, ease of use, moderate organic Lewis acid properties, reduced reactivity profiles and numerous biological activities such as antibacterial and antioxidant. The present study documents the synthesis and characterization of a novel boronic ester compound (3,5,7-trihydroxy-2- (2-phenyl benzo [d] [1,3,2] dioxaborol-5-yl) −4H-chromen-4-a) which was derived from phenyl boronic acid and quercetin. The new boron-based compound was used in the cream formulation after evaluating its antioxidant, antibacterial, anti-enzyme, anticancer activities and electrochemical oxidation behaviour. Furthermore, the cream has been dermatologically and microbiologically tested. Also, histological evaluation of the agent was estimated on multiple rat organs by hematoxylin-eosin staining method. Antioxidant potential of the new compound was tested by ABTS cation radical (IC 50 : 0.11 ± 0.01 µg/mL), DPPH free radical scavenging (IC 50 : 0.14 ± 0.01 µg/mL), and CUPRAC (A 0.5 : 1.73 ± 0.16 µg/mL) methods, respectively. The compound determined to have a dominant antioxidant activity. In addition, the synthesized compound had no toxic effect on the healthy cell line (PDF), while having a very high (IC 50 : 18.76 ± 0.62 µg/mL) cytotoxic effect on the cancerous cell line (MCF-7). In general, the compound showed moderate acetylcholinesterase enzyme activity (IC 50 : 115.63 ± 1.16 µg/mL), high butyrylcholinesterase (IC 50 : 3.12 ± 0.04 µg/mL), antiurease (IC 50 : 1.10 ± 0.06 µg/mL), and antithyrosinase (IC 50 : 11.52 ± 0.46 µg/mL) enzyme activities. In addition, the compound was found to be effective against Escherichia coli (ATCC 25922) bacteria studied at concentrations of 6.50 mg/mL. Moreover, the test results of the boronic ester compound used in the cream formulation demonstrated that it was microbiologically and dermatologically appropriate. Histologic analysis showed that the control group and experimental group were at similar properties without significant change. The phenyl boronic acid derivative compound synthesized from quercetin may have higher biological activity potential than quercetin. Due to the high biological activity potential of the synthesized compound, it has the potential to be used in food, feed, pharmaceutical and cosmetic industries. [Display omitted] • It was synthesized and characterized a novel boronic ester compound (3,5,7-trihydroxy-2- (2-phenyl benzo [d] [1–3] dioxaborol-5-yl) − 4 H-chromen-4-a). • It was evaluated antioxidant, antibacterial, anti-enzyme anticancer activities and electrochemical oxidation behaviour of the new boron based compound. • it was used in the cream formulation. [ABSTRACT FROM AUTHOR]

This study deals with the synthesis of hydroxyapatite nanoparticles (HAPnps) mediated by Acacia falcata leaf extract. Aggregates of needle-shaped crystalline nanostructures were confirmed by FE-SEM and TEM analysis. Well-defined rings in the SAED patterns corroborated the polycrystalline nature of the HAPnps. Individual elements present in the HAPnps were attested by the specific signals for Ca, P, and O in the EDS and XPS analyses. The distinct peaks observed in the XRD spectrum matched well with the HAP hexagonal patterns with a mean crystallite size of 55.04 nm. The FTIR study unveiled the coating of the nanoparticles with the biomolecules from Acacia falcata leaves. The suspension HAPnps exhibited polydispersity (0.446) and remarkable stability (zeta potential: − 31.9 mV) as evident from DLS studies. The pore diameter was 25.7 nm as obtained from BET analysis, suggesting their mesoporous nature. The HAPnps showed the cytotoxic effect on A549 lung and MDA-MB231 breast carcinoma cell lines, with an IC 50 value of 55 μg/mL. The distortion of the cell membrane and cell morphology, along with the chromatin condensation and cell necrosis on treatment with HAPnps were detected under fluorescence microscopy post acridine orange/ethidium bromide dye staining. This study reports the anti-cancerous potential of non-drug-loaded plant-mediated HAPnps. Therefore, the HAPnps obtained in this investigation could play a vital role in the biomedical field of cancer therapy. [ABSTRACT FROM AUTHOR]

[Display omitted] • The Copper oxide nanoparticles were successfully synthesized using extract of Star anise and Polianthes Tuberosa. • The plant material used was successfully acted as reducing agent, stabilizing and capping agents. • Synthesized Copper oxide nanoparticles were characterized by FT-IR, Ultraviolet–visible SEM & XRD techniques. • The size of the Copper oxide nanocrystals was 25.40 nm and 32.7 nm structure was monoclinic end-centered. • SEM analysis results sphere like shape and morphology for Copper oxide nanoparticles. • Showed significant anticancer activity against MM2 cancer cell line. Cancer has considered the second most deadly disease and causes more deaths in human beings without any age factors. Nowadays research is going on finding a potential drug to cure cancer. Especially nanoparticles are used for this process. In our research, we prepared CuONPs using an extract of Illicium verum and Polianthes tuberosa. Synthesized CuONPs have been characterized by using FT-IR, Ultraviolet–visible spectroscopic techniques, SEM, TEM& XRD techniques. The structure and size of the Copper oxide nanocrystals have been obtained from XRD analysis. The sizesof the Copper oxide nanocrystals have been found25.40 nm and 32.7 nm. XRD analysis results end-centered monoclinic structure of copper oxide nanocrystals. The sizes of CuONPs results from SEM have been 37.78 nm and 17.8 nm. The anticancer activity of CuONPs was tested against MM2 cell lines and showed significant activity. The results revealed that about 50 % of the cell viability (IC 50) was found to be at a 25 μg/mL concentration of CuONPs. Similarly, for CuONPs using Polianthes tuberosa , 50 % of the cell viability (IC 50) was found to be at a 20 μg/mL concentration of CuONPs. In the future, it could be used for further anticancer studies and drug discovery processes. [ABSTRACT FROM AUTHOR]

Schiff’s base ligand(L) hydrazine carboxamide, 2-[3-methyl-2-thienyl methylene] and its metal complexes have been synthesized and characterized by elemental analysis, molar conductance, various spectroscopic techniques such as electronic, IR, 1 H NMR, mass, EPR. Molar conductance of complexes in DMF solution corresponds to non-electrolyte. Complexes have general composition [M(L) 2 X 2 ], where M = Ni(II) and Cu(II), X = Cl − , NO 3 − , CH 3 COO − and ½SO 4 2− . On the basis of above spectral studies, an octahedral geometry has been assigned for Ni(II) complexes and tetragonal geometry for Cu(II) complexes except [Cu(L) 2 SO 4 ] which possesses five coordinated trigonal bipyramidal geometry. These metal complexes were also tested for their anticancer, antibacterial and antifungal activities to assess their inhibition potential. Anticancer activity of ligand and its metal complexes were evaluated using SRB fluorometric assay and Adriamycin (ADR) was applied as positive control. Schiff’s base ligand and its metal complexes were screened for their antibacterial and antifungal activity against Escherichia coli , Bacillus cereus and Aspergillus niger , Aspergillus flavus , respectively. Kirby-Bauer single disk susceptibility test was used for antibacterial activity and well diffusion method for antifungal activity of the compounds on the used fungi. [ABSTRACT FROM AUTHOR]

New Ru(III) isothiosemicarbazone complexes [RuCl(EPh3)L¹-4] (E = P or As) were obtained from the reactions between [RuCl3(EPh3)3] and bis(salicylaldehyde)-S-methylisothiosemicarbazone (H2L¹-³)/bis(2-hydroxy-naphthaldehyde)-S-methylisothiosemicarbazone (H2L4) ligands. The new complexes were characterized by using elemental analyses and various spectral (UV-Vis, IR, ¹H NMR, FAB-Mass and EPR) methods. The redox properties of the complexes were studied by using cyclic voltammetric method. The new complexes were subjected to various biological investigations such as antioxidant assays involving DPPH radical, hydroxyl radical, nitric oxide radical and hydrogen peroxide, DNA/protein interaction studies and in vitro cytotoxic studies against human breast cancer cell line (MCF-7). New complexes showed excellent free radicals scavenging ability and could bind with DNA via intercalation. Protein binding studies using fluorescence spectroscopy showed that the new complexes could bind strongly with bovine serum albumin (BSA). Photo cleavage experiments using DNA of E-coli bacterium exhibited the DNA cleavage ability of the complexes. Further, the in vitro anticancer activity studies on the new complexes against MCF-7 cell line exhibited the ability of Ru(III) isothiosemicarbazone complexes to suppress the development of malignant neoplastic disease cells. [ABSTRACT FROM AUTHOR]

Highlights: [•] Synthesis and spectral characterizations of novel Schiff base ligand (2CBTS). [•] Preparation and spectral studies of Ni(II) and Cu(II) complexes of 2CBTS. [•] Antibacterial screening of ligand, Ni(II) and Cu(II) complexes. [•] Anticancer studies of 2CBTS and its Cu(II) complexes against MCF 7. [Copyright &y& Elsevier]

[Display omitted] • Anticancer studies of sulfonamide-based thiadiazole derivatives were carried out. • Thiadiazole derivatives attach well with the active binding site of the PDBID 1V9E protein. • Thiadiazole derivatives have a very low binding constant with DNA. The sulfonamide-based thiadiazole derivatives (STDs) with different hydrophobic/hydrophilic substitutions were synthesized to investigate their potentials in carbonic anhydrase inhibition (CAI). The CAI activity of the STDs (4a-4h) and the mechanism of the inhibition kinetics were determined. STD 4f contained both methoxy and Cl groups at benzene ring in STD 4f showed the lowest IC 50 value. The molecular docking study confirmed that STDs bind strongly with the active sites of the target protein PDBID 1V9E. With the help of Lineweaver-Burk plots, inhibition kinetics of PDBIR 1V9E protein with STDs were determined. Cytotoxicity was checked against human keratinocyte cell lines and the anticancer properties were determined against MCF-7 cell lines. The electrochemical method was used to investigate the binding study with DNA and CA enzymes. Anticancer studies showed that STDs have weak bonding ability to DNA and strong binding ability with CA. It is concluded that anticancer activity is through CAI rather than by DNA binding. [ABSTRACT FROM AUTHOR]

Crystalline hydroxyapatite were synthesized from synthetic/human urine through precipitation which were further doped with silver nanoparticle for effective biomedical application. The aim were to improve overall biological compatibility of the synthesized bone-graft material even in oncogenesis cases. The thermal calcinated material was characterized by several techniques including UV–vis, Laser Raman, Fourier transmittance infrared spectroscopy, X-ray diffraction analysis, Transmission Eelectron microscopy and X-ray fluorescence spectroscopy. The quantitative and qualitative analysis revealed that the synthesized material was highly crystalline and nanosized with majority of silver and phosphate components. The antibacterial, anticancer and invitro cytotoxicity of the synthesized material was evaluated with Escherichia coli , Hela cells and brine shrimp assay, respectively. The brine shrimp assay revealed that the synthesized material is compatible with biological system, whereas anticancer activity showed the application of the synthesized biomaterial in cancer treatment in which antibacterial activity adds more advantage on preventing the bone-graft from microbial attack. [ABSTRACT FROM AUTHOR]

• Four novel imidazolium and benzimidazolium based ILs and their selenium adducts were synthesized. • Compounds were confirmed through spectroscopy and mass spectrometry. • Molecular docking marked these test compounds as potential cytotoxic agents for simulated proteintargets. • In vitro assay confirmed the dose dependent cytotoxicity of test compounds against HCT-116, MCF-7 and A549. • BSA interaction study and hemolysis assay assured the safety of studied compounds. Ionic liquids (ILs) are remarkable for biological activities in numerous medical fields. With the aim of enhancing biological potential of azolium based ILs, four new selenium-N-Heterocyclic Carbene (Se-NHC) adducts were synthesized from bis-imidazolium and bis-benzimidazolium molten salts. Synthesized ILs (L 1 -L 4) and Se-NHC adducts (C 1 C 4) were confirmed through elemental analysis, chromatographic and spectroscopic techniques including UHPLC-PDA, FTIR, 1H NMR & 13C NMR spectroscopy as well as mass spectrometry. The compounds were found stable in solution form for upto 96 h measured spectroscopically and showed partition coefficient with optimum lipophilicity measured through shake flask method. The simulation studies of these compounds for cancerous proteins indicated that there could be good to high anticancer potential due to their high affinity and less binding energies for COX-1, EGF, VEGF-A and HIF cancer protein targets. The In Vitro cytotoxicity study of compounds confirmed that these compounds were found highly active showeing IC 50 against HCT-116 (1.074–1.116 µg mL−1), A549 (0.977–1.325 µg mL−1) and MCF-7 (0.869–1.378 µg mL−1) which is almost better than standard drug 5-Flourouracil but slightly lower than cisplatin and oxaliplatin. The interaction study of compounds with albumin proteins (BSA) and hemolysis assay assured their least toxicity. [ABSTRACT FROM AUTHOR]

Structurally interesting N-pyridinylmethyl engrafted bisarylmethylidenepyridinones with high functionality have been constructed in good yield. The structural interpretation of these compounds has been done with the aid of spectroscopic analysis and further established by single crystal X-ray diffraction studies. Following physical characterization, the synthesized compounds were tested for their in vitro anticancer activity against HepG2 cancer cells and it was found that all of the compounds exhibited some level of activity. We observed a significant level of cell viability losses to the cancer cells, while only smaller losses to the non-cancer cells were observed. Besides, the mechanistic investigation of toxicology revealed that the cancer cells were undergoing apoptotic pathway, induced by the generation of oxidative stress and the involvement of caspases. The analysis provides preliminary evidence for the successful control of cancer cells with a minimal effect on healthy normal cells because of the high IC50 levels and cell death mechanisms. [ABSTRACT FROM AUTHOR]

Cu(II) and Zn(II) morpholinyldithiocarbamato complexes, formulated as [Cu(MphDTC)2] and [Zn(μ-MphDTC)2(MphDTC)2], where MphDTC is morpholinyldithiocarbamate were synthesized and characterized by elemental analysis, spectroscopic techniques and single-crystal X-ray crystallography. The molecular structure of the Cu(II) complex revealed a mononuclear compound in which the Cu(II) ion was bonded to two morpholinyl dithiocarbamate ligands to form a four-coordinate distorted square planar geometry. The molecular structure of the Zn(II) complex was revealed to be dinuclear, and each metal ion was bonded to two morpholinyl dithiocarbamate bidentate anions, one acting as chelating ligand, the other as a bridge between the two Zn(II) ions. The anticancer activity of the morpholinyldithiocarbamate ligand, Cu(II) and Zn(II) complexes were evaluated against renal (TK10), melanoma (UACC62) and breast (MCF7) cancer cells by a Sulforhodamine B (SRB) assay. Morpholinyldithiocarbamate was more active than the standard drug parthenolide against renal and breast cancer cell lines, and [Zn(μ-MphDTC)2(MphDTC)2] was the most active complex against breast cancer. The copper(II) complex had a comparable activity with the standard against renal and breast cancer cell lines but showed an enhanced potency against melanoma when compared to parthenolide. [ABSTRACT FROM AUTHOR]