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Molecular characterization of cholera autoinducer-1(CAI-1) mimic as a potent cqsS receptor agonist

Srikkanth Balasubramanian, M.Hema, R.S.Santhosh, Karthi Shanmugam, S.Adline Princy

The binding of the signaling molecule CholeraAuto inducer-1 (CAI-1) to the cognate transmembrane receptor CqsS regulates the behavioural pattern in Vibrio cholerae. CAI-1 serves as the liaison between Vibrio species thereby, regulating their virulence & pathogenecity. This study highlights on the in-vitro characterization of CAI-1 mimicmolecules from Melia dubia leaf extract. The methanol fraction of the aqueous leaf extract thatmuffled theHaemolyis&Biofilmformation simultaneously, enhancing the production of extracellular protease and oxidative stress response in a Low Cell Density (LCD) condition was subjected to GC-MS analysis which unmasked an array of 19 compounds. Molecular Docking was chosen as a tool to predict the compound that had a greater binding affinity to CqsS receptor than the native CAI-1. Consequently, through in-silico analysis it was found out that 4-Ethyl Resorcinol in the methanol fraction had the maximum binding affinity. Further experiments in-vitro, validated the prediction that 4-Ethyl Resorcinol in Melia dubia leaves was a potent CAI-1 functionalmimic molecule i.e. CqsS receptor agonist.