Molecular docking, simulation and binding free energy analysis of small molecules as PfHT1 inhibitors.
Antimalarial drug resistance has thrown a spanner in the works of malaria elimination. New drugs are required for ancillary support of existing malaria control efforts. Plasmodium falciparum requires host glucose for survival and proliferation. On this basis, P. falciparum hexose transporter 1 (PfHT...
Main Authors: | Afolabi J Owoloye, Funmilayo C Ligali, Ojochenemi A Enejoh, Adesola Z Musa, Oluwagbemiga Aina, Emmanuel T Idowu, Kolapo M Oyebola |
---|---|
Format: | Article |
Language: | English |
Published: |
Public Library of Science (PLoS)
2022-01-01
|
Series: | PLoS ONE |
Online Access: | https://doi.org/10.1371/journal.pone.0268269 |
Similar Items
-
Identification of druggable small molecule antagonists of the Plasmodium falciparum hexose transporter PfHT and assessment of ligand access to the glucose permeation pathway via FLAG-mediated protein engineering.
by: Monique R Heitmeier, et al.
Published: (2019-01-01) -
Structure-based scoring of anthocyanins and molecular modeling of PfLDH, PfDHODH, and PfDHFR reveal novel potential P. falciparum inhibitors
by: Precious A. Akinnusi, et al.
Published: (2023-01-01) -
Betulinic and ursolic acids from Nauclea latifolia roots mediate their antimalarial activities through docking with PfEMP-1 and PfPKG proteins
by: Edet Effiong Asanga, et al.
Published: (2024-02-01) -
In-silico studies of hydroxyxanthone derivatives as potential pfDHFR and pfDHODH inhibitor by molecular docking, molecular dynamics simulation, MM-PBSA calculation and pharmacokinetics prediction
by: Lathifah Puji Hastuti, et al.
Published: (2024-01-01) -
Toward querying the national peril of kidnapping in Nigeria
by: Funmilayo Idowu Agbaje
Published: (2022-12-01)