Bioactivity of melianone against Salmonella and in silico prediction of a membrane protein target.

ABSTRACT: Melianone, the protolimonoid (24, 25-epoxyflindissone), was isolated from the medicinal tree species, Swietenia mahagoni (L.) JACQ (Meliaceae). The compound isolated from petroleum ether leaf extracts (5.39%) was quantified using high-performance thin-layer chromatography (HPTLC) method. In antimicrobial assays melianone inhibited Salmonella ser. Typhi with an MIC of 0.053 µM. Induced Fit Docking (IFD) of the ligand, melianone, with proteins involved in anaerobic virulence of the pathogen, revealed that it binds with FocA (a transport protein of formate ions) at its "periplasmic opening" with a glide energy of - 51.8576 kcal mol^-1. Melianone altered the overall conformation of the protein (protomer A) by 0.347 Å RMSD. It induced a notable protein topology (Ω

SUBMITTER: Veni A 

PROVIDER: S-EPMC7527380 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature