Chalcones As Potent Agents Against Staphylococcus aureus: A Computational Approach

Abstract

Background: Studies on natural or synthetic products from chalcones have shown to be very promising due to their peculiar structure that allows different possibilities of reallocation that will define their diverse bioactivities in the creation of new substances. This creation is facilitated by the synthesis of substances in conjunction with the molecular study, which allows a considerable advancement in research, reducing the number of in vitro tests. Objective: This work focuses on the antibacterial activity of chalcones against Staphylococcus aureus, which causes several diseases and is one of the main microorganisms with increasing resistance to conventional drugs. Methods: Articles that studied antibacterial activity, efflux pump, or molecular docking were considered complimentary analyses of chalcones. From these data, molecular docking and ADMET of the first five chalcones were performed with the best activity found. Results: The result of the antimicrobial activity against Staphylococcus aureus was confirmed through in silico study and pharmacokinetic data. Conclusion: The results of the antimicrobial activity of the most active chalcones against Staphylococcus aureus were supported by in silico and pharmacokinetic studies, which not only confirmed their potential to act against resistant strains but also established the future utility of chalcones as lead molecules or prototypes for the synthesis of potent new antimicrobial agents against Staphylococcus aureus.