The Molecular Dynamics Simulation of Indoxyl 3-O-β-D-apiofuranosyl-(1 → 6)-β-D-glucopyranoside from Wrightia genus against wild-type and quadruple mutant plasmodium falciparum Dihydrofolate Reductase (pfDHFR)

Abstract

Compound Indoxyl 3-O-β-D-apiofuranosyl-(1 →6)-β-D-glucopyranoside from Wrightia genus undergone molecular dynamic simulation in complex with quadruple mutant pfDHFR and wildtype pfDHFR to identify the most effective interaction to disrupt the DENV replication mechanism.