Molecular docking and molecular dynamics simulation studies of inhibitor candidates against Anopheles gambiae 3-hydroxykynurenine transaminase and implications on vector control

Molecular docking and molecular dynamics simulation studies of inhibitor candidates against Anopheles gambiae 3-hydroxykynurenine transaminase and implications on vector control

Isoxazole and oxadiazole derivatives inhibiting 3-hydroxykynurenine transaminase (3HKT) are potential larvicidal candidates. This study aims to identify more suited potential inhibitors of Anopheles gambiae 3HKT (Ag3HKT) through molecular docking and molecular dynamics simulation. A total of 958 com...

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Bibliographic Details
Main Authors: Eunice O. Adedeji, Olubanke O. Ogunlana, Gbolahan O. Oduselu, Rainer Koenig, Ezekiel Adebiyi, Opeyemi S. Soremekun, Segun Fatumo
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Heliyon
Subjects:
1,2,4-Oxadiazole
3HKT
Isoxazoles
Larvicide
Mosquito
Vector control
Online Access:http://www.sciencedirect.com/science/article/pii/S240584402500012X
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