ANTIBACTERIAL EFFECTS AND MOLECULAR DOCKING INTERACTIONS OF PLANT ESSENTIAL OILS AGAINST DRUG-RESISTANT BACTERIAL PATHOGENS: A COMPARATIVE STUDY

Abstract

The rise of drug-resistant bacterial pathogens is a major global health concern, as it limits the effectiveness of existing antibiotics. Plant essential oils offer a promising solution, as they have a history of being antimicrobial agents.This research study aimed to investigate the antibacterial effects of five plant essential oils against drug-resistant bacterial pathogens and to explore the molecular docking interactions of their active components with key bacterial proteins and enzymes. Rosemary oil, lemon oil, lavender oil, basil oil, and sandalwood oil were tested against Staphylococcus aureus, Escherichia coli, and Bacillus in the form of aqueous extracts and micelles. The disc diffusion method was used for the initial antibacterial screening, and molecular docking studies were performed using PYRX and visualized by BIOVIA Discovery Studio. The results revealed that the essential oils exhibited antibacterial effects, with lavender and basil oils showing high activity against bacterial agents. Molecular docking studies indicated strong interactions of major essential oil compounds with the active site of the bacterial DNA gyrase enzyme, suggesting a potential mode of action for the antibacterial effects. In conclusion, this study highlights the antibacterial properties of essential oils and their potential as sources of antibacterial agents, particularly through interactions with crucial bacterial enzymes.