In-Silico Consideration of Anti-Microbial Prospective of Plant Phenolic and Flavonoids

Abstract

Abstract: Background: Pathogenic microorganism infections pose a serious threat to human health. The need for innovative, safe, and efficient antimicrobial medicines has been driven by rising drug resistance cases, unfavorable antibiotic side effects, and the reemergence of previously identified illnesses. Virtual screening techniques used in drug development, such as drug-likeness and ADMET analysis, use computation to quickly and cheaply identify compounds that are likely to demonstrate physiological activity. Methods: In this regard, the enzyme aminoacyl-tRNA synthetase (AaRS) has been the focus of recent research in the discovery of antibacterial agents. Docking studies were performed Molecular docking of aminoacyl-tRNA synthetase (AaRS) with chlorogenic acid, rutin, quercetin and gallic acid was carried out by AutoDock. Results: The molecular docking result revealed that chlorogenic acid, gallic acid, quercetin and rutin showed encouraging docking score. Hence from above finding it can be predicted that phenolics and flavonoids found in the plants extract exhibited good inhibitor of IleRS enzyme.