Antimicrobial activity evaluation and molecular docking studies of diphenyl pyridine phosphine gold(I)-thiolate complexes with thioredoxin reductase enzyme

[摘要] Background and Objectives Despite several studies and abundant efforts to control microbial agents,humans have not yet been able to eliminate these agents. Recent studies have shown that gold(I) compoundsare promising candidates for making antimicrobial drugs. The interest in gold-based drugs isincreasing day by day. Inhibition of the thioredoxin reductase (TrxR) enzyme is the most important biologicaltarget for antimicrobial gold(I) compounds.Subjects and Methods In this study, the antimicrobial properties of five diphenyl pyridine phosphinegold(I)-thiolate compounds against gram-positive bacteria (P. aeruginosa, E. coli), gram-negative bacteria(S. aureus, B. subtilis), a fungus (C. albicans), and a yeast (S. cerevisiae) were evaluated. The moleculardocking studies were carried out using AutoDock 4.2 to find the best compound in the active site of theTrxR enzyme (PDB ID: 4CBQ).Results The gold(I) compounds had a minimum inhibitory concentration (MIC) value ranged from 3 to100 μg/mL. The most active compound was Au3 which had a MIC of 3.89, 3.15, 4.36, 5.44, 6.13, and8.37 μg/mL against P. aeruginosa, E. coli, S. aureus, B. subtilis, C. albicans and S. cerevisiae, respectively.Conclusion The gold(I) compounds act better on gram-negative bacteria and yeast strains compared toauranofin as antirheumatic drug. These compounds, especially the Au3, are potentially valuable for thecontrol of antimicrobial agents.

[学科分类] 基础医学

[关键词] Diphenyl pyridine phosphine gold(I)-thiolate;Antimicrobial activity;Molecular docking;thioredoxin reductase