Transition metal complexes of triazole-based bioactive ligands: synthesis, spectral characterization, antimicrobial, anticancer and molecular docking studies

In the present research work, four new heterocyclic Schiff base ligands (1–4) were synthesized by condensation of 4-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)phenol with salicylaldehyde derivatives in 1:1 molar ratio. The allowed for complexation Co(II), Ni(II), Cu(II), Zn(II) metal ions. structure newly compounds (1–20) was elucidated help various spectral and physicochemical techniques. Spectroscopic data confirm tridentate nature which coordinate to via deprotonated oxygen, azomethine nitrogen thiol sulphur. Conductivity showed non-electrolytic complexes. Furthermore, evaluated their in-vitro antimicrobial activity against pathogenic bacterial strains two fungal strains. observed results microbial reveals that compound 3 its complexes (13–16) found most potent addition, anticancer all human carcinoma cell lines i.e. HCT-116, DU145 A549 using MTT assay. Among tested 12, 19, 20 show promising potency cancer lines. To rationalize preferred modes interaction active site EGFR protein (PDB id: 5XGM), molecular docking studies performed.