Projecting phytochemical bacoside A anti-mucorale agent: An in-silico and in-vitro assessment.

ABSTRACT: Mucormycosis, a life-threatening fungal infection that primarily affects immunocompromised individuals.The protein family commonly observed in the fugus responsible for causing Mucormycosis. The attachment of spores to host cells surface, facilitated by a protein CotH, is a critical step for the invasion and progression of the disease. Therefore, CotH inhibitors have emerged as a promising therapeutic strategy for treating mucormycosis.This study presents a novel therapeutic target and ligand for controlling the growth of Mucorales. First, to identify potential CotH inhibitors, we surveyed a library antifungal compounds elaborated in AYUSearch database. Next, using machine learning-based algorithms we screend 20 potentials ligands, followed by structure-based molecular modelling and molecu

SUBMITTER: Tilwani K 

PROVIDER: S-EPMC11388571 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature