Predicting the potential of Ocimum sanctum leaf extract as an antibacterial agent for Escherichia coli: A crucial step towards realizing the Good Health and Well-being goal

Abstract

Using natural compounds to treat diarrhea is a local wisdom practice in several countries. Interest in plants with antimicrobial properties, such as holy basil (Ocimum sanctum) leaves, has revived due to bacterial resistance associated with the inappropriate use of antibiotics. The use of natural compounds as potential affordable medicine may also support achieving the goal of good health and well-being. In this current study, selected compounds of basil leaves, i.e., eugenol, caryophyllene, and geranylgeraniol, were subjected to docking simulation to disclose their potential as an antibacterial agent to Escherichia coli. Molecular docking analysis was performed using AutoDockTools. It revealed that the geranylgeraniol compound had the lowest binding affinity energy (-6.3 kcal/mol) and RMSD value close to 2Å (1.889Å). Eugenol and geranylgeraniol have identical amino acid binding site residues as reference antibiotic ciprofloxacin and native ligand ON2. Based on these results, it can be concluded that geranylgeraniol can potentially be an antibacterial agent for E. coli