Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies

Tuberculosis disease is a serious threat to humans and spreading quickly worldwide, therefore, to find a potent drug, the synthesis of hydrazone ligands endowed Co(II), Ni(II), Cu(II), Zn(II) metal complexes were carried out and well characterized by numerous spectral and analytical techniques. The octahedral geometry of the complexes was confirmed by spectral analysis. Further, in vitro antituberculosis efficacy of the compounds (1–10) revealed that complexes (6), (9), (10) have highest potency to control TB malformation with 0.0028 ± 0.0013–0.0063 ± 0.0013 µmol/mL MIC value while Zn(II) complex (10) (0.0028 ± 0.0013 µmol/mL) has nearly four time potent to suppress TB disease in comparison of streptomycin (0.0107 ± 0.0011 µmol/mL). The antimicrobial and anti-inflammatory evaluations revealed that the complex (10) is more active with lowest MIC (0.0057–0.0114 µmol/mL) and IC(50) (7.14 ± 0.05 µM) values, correspondingly which are comparable with their respective standard drugs. Furthermore, the theoretical studies such as molecular docking, DFT, MESP and ADMET were employed to authenticate the potency of HL(2) hydrazone ligand (2) and its metal complexes (7–10) which revealed that the zinc(II) complex (10) might be utilized as novel drug candidate for tuberculosis dysfunctions. So, the present research gives a new insight for in vivo investigation of the compounds.