Evaluation of natural compounds as folate biosynthesis inhibitors in Mycobacterium leprae using docking, ADMET analysis, and molecular dynamics simulation
Screening of 1,400 #NaturalCompounds identified three potential FolP inhibitors targeting folate biosynthesis in #Mycobacteriumleprae exhibiting strong docking scores, favorable #ADMET profile, & stable binding in MD simulations.
#OpenChemistry #OpenAccess: doi.org/10.1515/chem...