Targeting staphylococcal cell-wall biosynthesis protein FemX through steered molecular dynamics and drug-repurposing approach
S. Rahman, S. Nath, U. Mohan, A. K. Das
This study repurposes FDA-approved drugs against S. aureus by analyzing their binding to FemX using SMD and shows Lumacaftor has higher affinity and lower toxicity.
bioRxiv · Jun 13, 2023Pharmacology & Toxicology