Publication: Insights into the antimicrobial efficacy of Coleus aromaticus essential oil against food-borne microbes: Biochemical and molecular simulation approaches
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Date
2023
Journal Title
Food and Chemical Toxicology
Journal ISSN
Volume Title
Publisher
Elsevier Ltd
Abstract
The study reported the antimicrobial efficacy of chemically characterized Coleus aromaticus essential oil (CEO) against food-borne bacteria, molds (Aspergillus flavus), aflatoxin B1 (AFB1) and explored its mechanism of action using biochemical and molecular simulation approaches. The chemical profile of CEO was explored by Gas chromatography-mass spectrometry (GC-MS) analysis, which revealed thymol (46.0%) as the major compound. The minimum inhibitory concentration values of CEO for bacterial species Escherichia coli, Salmonella enterica, Bacillus cereus, and Shigella flexneri was found to be 0.9 ?l/ml, 0.7 ?l/ml, 0.16 ?l/ml, and 0.12 ?l/ml respectively. The MIC value for A. flavus and AFB1 contamination was 0.6 ?l/ml. The DPPH radical scavenging activity of CEO was recorded with IC50 0.32 ?l/ml. Biochemical and computational approaches (docking and dynamics simulation) have been performed to explore the multi-faceted antimicrobial inhibitory effects of CEO at the molecular level, which shows the impairment in membrane functioning, leakage of cellular contents, release of 260-nm absorbing materials, antioxidative defense, carbon catabolism and vital genes (7AP3, Nor1, Omt1, and Vbs). The findings indicated that CEO could be used as natural antimicrobial agents against food-spoilage bacteria, A. flavus and AFB1 contamination to extend the shelf-life of food product and prevention of food-borne diseases. � 2023
Description
Keywords
Aflatoxin B<sub>1</sub>, Coleus aromaticus, Computational approaches, Essential oil, Food-borne microbes