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Therapeutic potential of Stigmasterol and Kaempferol on multidrug-resistant malaria

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Title Therapeutic potential of Stigmasterol and Kaempferol on multidrug-resistant malaria
 
Creator Taiwo, Idowu A
Oyejide, Stephen O
 
Subject Homology modeling
Kaempferol
Molecular docking
Pfmdr1 protein
Stigmasterol
 
Description 197-203
Falciparum malaria is the most common form of malaria in Nigeria and other countries where the disease is endemic.
Increasing cases of multidrug-resistant falciparum malaria is a source of great concern in such areas. Plasmodium
falciparum multidrug resistant 1 (pfmdr1) protein is an efflux pump that has been linked with drug resistance in malaria.
Inhibiting pfmdr1 protein with novel drugs might provide a solution to malaria drug resistance. Considering the significance
of this protein, this study aimed to model the protein structure and conduct molecular docking with stigmasterol and
kaempferol as potential drug candidates. The three-dimensional structure of pfmdr1 was modeled in Phyre2 by homology
modeling and validated through Volume Area Dihedral Angle Reporter (VADAR). The protein-drug interaction analysis of
pfmdr1 protein and stigmasterol had an X-score of 6.857 kcal/mol, while the pfmdr1 protein-kaempferol complex had an
X-score of 5.510 kcal/mol. As revealed by protein-ligand interaction profiling, stigmasterol formed hydrophobic interactions
with Leu277, Leu281, Leu285, and His278 amino acid residues as compared to kaempferol, which formed similar
interactions with only Ile282 and Leu285 residues. The results of this study suggest that stigmasterol and kaempferol are
potential anti-malarial drugs, especially in areas of malaria drug resistance.
 
Date 2024-03-06T08:54:27Z
2024-03-06T08:54:27Z
2024-03
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/63534
https://doi.org/10.56042/ijbb.v61i4.6438
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source IJBB Vol.61(04) [April 2024]