Potential inhibitory properties of selected plant secondary metabolites from local plant families in the Philippines against AcrAB-tolc drug efflux pump system of E. coli: An In silico analysis
Abstract
Antibiotics heralded an approach to controlling and ending infectious diseases caused by bacteria. However, these life-saving drugs have begun to lose their efficacy as various bacteria have gained a significant level of antibiotic resistance over the years. Amidst these bacterial survival mechanisms, plant secondary metabolites provide a possible countermeasure against this phenomenon because of their defense mechanisms. Through in silico analytic procedures, nine selected plant secondary metabolites from Ixora coccinea, Mimosa pudica , and Origanum vulgare , in the Philippines were molecularly docked using AutoDock simulation software and Biovia Discovery Studio against the RND efflux pump system, AcrAB-TolC of E. coli . All of the selected metabolites showed negative binding energies implying high ligand-receptor affinity and good stability, especially the secondary metabolites of I. coccinea . Metabolites that have remarkable properties similar to the existing efflux pump inhibitors include lupeol, quercetin, galangin, kaempferol, and ursolic acid.
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