Antibacterial, antifungal, DNA interactions, and antioxidant evaluation of Cu(II) Co(II), Ni(II), Mn(II) and UO2(II) mixed ligand metal complexes: Synthesis, characterization and molecular docking studies.

Metal (M): primary ligand (HL 1): co-ligand (HL 2) complexes; characterized by analytical and spectroscopic techniques. The results of the elemental analysis show the formation of [HL1:M:HL2] complexes. The ligands act as a mononegative bidentate chelating agent coordinating through C=O, NH 2 and two OH groups by replacement of a proton from the latter groups. The interface between HL 2, complexes and calf thymus DNA (CT-DNA) displays hypochromism behavior. Antimicrobial properties of ligands and the synthesized complexes were also screened versus G+ve bacteria (S. aureus and B. cereus), G-ve bacteria (K. pneumoniae , Pseudomonas sp. and E. coli , and fungi (F. oxysporum , A. niger , and C. albicans). The obtained results revealed the strong antimicrobial action of metal complexes with MIC, MBC and MFC values ranged from 5 to 45 µg/ml. HL 1 showed higher antimicrobial and antioxidant activities than HL 2 and major of the prepared metal complexes. All metal mixed ligand complexes inhibited the multidrug-resistant bacterium; Klebsiella pneumoniae compared to the standard antibiotic, penicillin G. Also, all metal mixed ligand complexes showed potent antifungal activities against both Aspergillus niger , and Candida albicans. [Display omitted] • Metal (M): primary ligand (HL 1): co-ligand (HL 2) complexes are prepared and characterized. • The molecular docking between the proteins receptors and the ligands and its mixed ligand metal complexes was studied. • Antimicrobial properties of ligands and its metal complexes are screened versus G+ve bacteria, G-ve bacteria and fungi. The results revealed the strong antimicrobial action of metal complexes with MIC, MBC and MFC values ranged from 5-45 μg/ml. • HL 1 ligand showed higher antimicrobial and antioxidant activities than HL 2 and major of the prepared metal complexes. The current work was designed to prepare novel 1:1:1 Metal (M): primary ligand (HL 1): co-ligand (HL 2) complexes; [Cu(L 1)(L 2)(OH 2) 2 ] (1) , [Co(L 1)(L 2)]H 2 O (2) , [Ni(L 1)(L 2)(OH 2) 2 ] 0·.75H 2 O (3) and [Mn(L 1)(L 2)(OH 2) 2 ] 4·.5H 2 O (4) and [UO 2 (L 1)(L 2)] (5) from ligands 7-Formyl-8-hydroxyquinoline (oxine) (HL 1), 2-aminophenol (HL 2) and characterized by analytical and spectroscopic techniques. FTIR, mass spectra, ESR techniques, elemental analysis, and thermal analysis were used to characterize the newly formed complexes. The results of the elemental analysis show the formation of [HL 1 :M:HL 2 ] complexes. The ligands act as a mononegative bidentate chelating agent coordinating through C = O, NH 2 and two OH groups by replacement of a proton from the latter groups. The molecular docking between the protein receptors and the ligand (HL 1), ligand (HL 2) and its mixed ligand metal complexes (1 – 5) was studied. The interface between HL 2, complexes and calf thymus DNA (CT-DNA) displays hypochromism behavior. The binding value constant (Kb) are calculated and found to be 5.29 × 103, 8.49 × 104, 2.45 × 105, 2.96 × 104 and 1.16 × 104, 3.08 × 104 M−1 for HL 2 and its mixed ligand metal complexes (1 – 5) , respectively. Antimicrobial properties of ligands and the synthesized complexes were also screened versus G + ve bacteria (S. aureus and B. cereus), G-ve bacteria (K. pneumoniae , Pseudomonas sp. and E. coli , and fungi (F. oxysporum , A. niger , and C. albicans). The obtained results revealed the strong antimicrobial action of metal complexes with MIC, MBC and MFC values ranging from 5 to 45 µg/ml. HL 1 showed higher antimicrobial and antioxidant activities than HL 2 and major of the prepared metal complexes. All metal mixed ligand complexes inhibited the multidrug-resistant bacterium; Klebsiella pneumoniae compared to the standard antibiotic, penicillin G. Also, all metal mixed ligand complexes showed potent antifungal activities against both Aspergillus niger and Candida albicans. [ABSTRACT FROM AUTHOR]