Mechanistic In-Silico Insights into the Anti-quorum Sensing Potential of Coumaric Acid and Syringic Acid in Serratia marcescens with Invitro Analysis.

ABSTRACT: Antibiotic resistance presents a major global health threat, especially with ESKAPE pathogens like Serratia marcescens, which exhibit resistance to all known antibiotics. Quorum sensing (QS) is key to its virulence and resistance, emphasizing the need for novel natural antimicrobial agents. This study investigates two plant-derived phenolic compounds, coumaric acid and syringic acid, targeting QS proteins of S. marcescens using in silico molecular docking, molecular dynamics simulations, and in vitro biochemical assays. Validated homology models of eight QS-associated proteins-BsmA, FimA, FimC, FlhD, LuxS, PigP, RsmA, and RssB-were employed for molecular docking studies, ADME (absorption, distribution, metabolism, and excretion) profiling, and 100-ns molecular dynamics (MD) simulations to

SUBMITTER: Pandey P 

PROVIDER: S-EPMC12594671 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature