Antimicrobial activity between Coriandrum sativum seed and Cuminum cyminum essential oils against foodborne pathogens: A multi-ligand molecular docking simulation

Abstract

Essential oils of Coriandrum sativum seed (CO) and Cuminum cyminum (CUM) were investigated for their single and combined antimicrobial activities against food-borne pathogens (Streptococcus pyogenes, Listeria monocytogenes, Bacillus subtilis, Enterobacter aerogenes, Salmonella enterica serovar Typhimurium, Shigella dysentery, Aspergillus niger, Saccharomyces cerevisiae and Candida albicans). Also, the AutoDock Vina software and a multi-docking approach was used to investigate the synergistic interactions of ligand combinations on a range of receptors. The results showed the antioxidant activity, total phenolic content (TPC), and total flavonoid content (TFC) of the CUM and CO were equal to 69.52 ± 0.47%, 76.52 ± 0.83 mg GAE/g, 34.5 ± 0.61 mg QE/g, 62.47 ± 0.89%, 44.28 ± 0.66 mg GAE/g, 22.6 ± 0.74 mg QE/g, respectively. The antioxidant activity, TPC and TFC for the combination (CO + CUM) were equal to 76.24 ± 0.31%, 83.60 ± 0.47 mg GAE/g, 36.47 ± 0.52 mg QE/g, respectively. The findings of this study demonstrated that the mixture of CO and CUM essential oils exhibited a synergistic mode for E. aerogenes, and A. niger and an additive mode for L. monocytogenes, B. cereus, S. Typhimurium, S. cerevisiae and C. albicans and no significant effect was observed for S. pyogenes and S. dysentery. According to results, Receptor 5U6M exhibits the highest binding affinity for all ligands, as evident from the most negative docking scores. Conversely, receptor 6NTW demonstrates the lowest binding affinity among the receptors investigated.