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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]

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]

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. [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]

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]