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

Chem Biodivers. 2025 Jan;22(1):e202401073. doi: 10.1002/cbdv.202401073. Epub 2024 Nov 8.

Abstract

This work describes the evaluation the potentiating activity of antibiotics by campesterol (1) and its derivatives (2-11) against multiresistant strains of Staphylococcus aureus 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; Molecular docking; Multiresistant bacteria.

MeSH terms

  • Anti-Bacterial Agents* / chemical synthesis
  • Anti-Bacterial Agents* / chemistry
  • Anti-Bacterial Agents* / pharmacology
  • Cholesterol / analogs & derivatives
  • Drug Resistance, Multiple, Bacterial / drug effects
  • Escherichia coli* / drug effects
  • Microbial Sensitivity Tests*
  • Molecular Docking Simulation*
  • Molecular Structure
  • Phytosterols / chemistry
  • Phytosterols / pharmacology
  • Pseudomonas aeruginosa* / drug effects
  • Staphylococcus aureus* / drug effects
  • Structure-Activity Relationship

Substances

  • Anti-Bacterial Agents
  • campesterol
  • Phytosterols
  • Cholesterol