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De Gruyter Open, Open Chemistry, 1(18), p. 1495-1506, 2020

DOI: 10.1515/chem-2020-0190

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Synthesis and physicochemical studies of a series of mixed-ligand transition metal complexes and their molecular docking investigations against Coronavirus main protease

Journal article published in 2020 by Ranjan K. Mohapatra, V. P. Saikishore, Mohammad Azam ORCID, Susanta K. Biswal
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

AbstractA novel series of mixed-ligand complexes of the type, [M(L1)(L2)Cl]·2H2O [L1 = 2-(α-methyl salicylidene hydrazine) benzimidazole (primary ligand), L2 = 2,2′-bipyridine (bipy; secondary ligand), M = Co(ii), Ni(ii), Cu(ii) and Zn(ii)], were based on the physicoanalytical studies. The spectroscopic findings revealed tridentate nature of the Schiff base ligand (L1) and its coordination to the metal ions via azomethine nitrogen, ring nitrogen and the deprotonated phenolic oxygen atoms. Furthermore, the synthesized compounds were evaluated for antimicrobial activity against Bacillus subtilis, Escherichia coli and Salmonella typhi microorganisms. In addition, molecular docking studies were carried out against Middle East respiratory syndrome coronavirus (PDB ID: 4ZS6) and severe acute respiratory syndrome coronavirus 2 main protease (PDB ID: 6W63).