Structure-based pharmacophore modeling, virtual screening, and molecular dynamics simulation studies for identification of Plasmodium falciparum 5-aminolevulinate synthase inhibitors

Plasmodium falciparum (Pf) 5-aminolevulinic acid synthase (5-ALAS) is an essential enzyme with high selectivity during liver stage development, signifying its potential as a prophylactic antimalarial drug target. The aim of this study was to identify important potential lead compounds which can serv...

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Bibliographic Details
Main Authors: Gbolahan O. Oduselu, Rufus Afolabi, Ibitayo Ademuwagun, Ashley Vaughan, Ezekiel Adebiyi
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-01-01
Series:Frontiers in Medicine
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fmed.2022.1022429/full