Cytotoxic, antimicrobial, and angiogenesis inhibition activity of novel Cobalt(II) complexes of substituted benzimidazole: Molecular docking simulation and Inhibition kinetics

Cobalt(II) complexes [CoX2L(OH2)]. 3H2O (X = Cl/Br) of 2-[(3 '-N-salicylidinephenyl) benzimidazole] was prepared and characterized by elemental analysis, FTIR, UV-visible, Mass and NMR spectral studies, Magnetic susceptibility, conductivity, and TGA analysis. The ligands and complexes underwent molecular docking simulations, antimicrobial activity assays, chorioallantoic membrane (CAM) assays, and cytotoxicity studies using the MTT assay. The ligand and Co(II) complexes were tested against both gram-positive and gram-negative bacteria, revealing that the complexes manifested greater efficacy than the ligand alone. In silico molecular docking studies showed that [CoBr2L(OH2)].3H2O possessed the most negative binding affinity and inhibitory activity against the related targets. Additionally, the ligand and [CoBr2L(OH2)]. 3H2O verified significant antiangiogenic activity in the CAM assay model of developing embryos. A cytotoxic assess using MDA MB 231 cells with low IC50 values of ligand (46.34 mu g/mL), chloro (62.85 mu g/mL), and bromo complexes (14.82 mu g/mL) after the incubation period of 48 h against doxorubicin indicated that the halo complexes were effective in treating breast cancer.