Molecular Docking and Antibacterial Activity of Campesterol Derivatives Against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa multiresistant strains

Chem Biodivers. 2024 Sep 11:e202401073. doi: 10.1002/cbdv.202401073. Online ahead of print.

Abstract

This work describes the evaluation the potentiating activity of antibiotics by campesterol (1) and its derivatives (2-11) against multiresistant strains of Staphylococcusaureus 10, Escherichia coli 06 and Pseudomonas aeruginosa 24 employing the microdilution test. When subjected to the in vitro potentiating activity bioassay, all compounds showed a potentiating effect associated with norfloxacin against E. coli and P. aeruginosa with a reduction in the MIC of the antibiotic of up to 75%. These compounds also reduced the MIC of gentamicin by 37% to 87% in S. aureus and E. coli. Additionally, molecular docking studies were conducted to gain a deeper understanding of the interactions between the appropriate proteins and the most effective compounds (2, 4, 9, and 10 against E. coli; 1, 2, 3, 5, 8, and 9 against S. aureus), including antibiotics. This paper registers for the first time the in vitro and in silico studies on the action of compounds 1-11 in antibiotic potentiation.

Keywords: Antibiotics; Campesterol derivatives; Modulating activity; Multiresistant bacteria; molecular docking.