Open AccessExploration of Theoretical and Antioxidant Mimetic Activities of Binuclear Copper(II) and Nickel(II) Coordination Complexes
Author(s) -
Bharti Mohan,
Mukesh Choudhary
Publication year - 2021
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2021.23339
Subject(s) - chemistry , superoxide dismutase , imidazole , active site , stereochemistry , dna gyrase , antioxidant , docking (animal) , superoxide , medicinal chemistry , combinatorial chemistry , enzyme , escherichia coli , biochemistry , medicine , nursing , gene
Three dinuclear copper(II) and nickel(II) complexes viz. [Cu2(La)(py)2]·(ClO4)2 (1),[Ni2(Lb)(ImH)2]·(ClO4)2 (2) and [Ni2(Lc)(H2O)2]·(ClO4)2 (3) were designed and synthesized usingdisulfide and auxiliary ligands as functional models for antioxidant superoxide dismutase enzyme(where, H2La-H2Lc = disulfide ligands bearing S-S bond, py = pyridine, ImH = imidazole). The disulfideligands were synthesized by condensation reaction of 2-(2-(2-aminophenyl)disulfanyl)benzeneaminewith 3-bromo-2-hydroxy-5-nitrobenzaldehyde; 5-bromo-2-hydroxybenzaldehyde and 3,5-dichloro-2-hydroxybenzaldehyde, respectively. All the compounds were characterized by various spectrometrymethods. The molecular docking study was performed against penicillin binding protein 4 (PBP4)active site pocket and E. coli DNA Gyrase B ATPase domain to evaluate the possible mechanism ofantibacterial property of disulfide ligands. The results revealed that H2La-H2Lc possess higher bindingaffinity for active site of PBP4 and Gyrase B ATPase domain. The present study also demonstratedthat disulfide compounds have potential to inhibit the PBP4 and Gyrase B ATPase domain and can bedeveloped as lead compounds. In addition, antioxidant superoxide dismutase (SOD) activity is alsodiscussed of these complexes. The antioxidant superoxide measurements show that complexes behaveas superoxide mimic in alkaline nitro blue tetrazolium chloride (NBT) assay.