Machine learning and molecular docking prediction of potential inhibitors against dengue virus

Machine learning and molecular docking prediction of potential inhibitors against dengue virus

IntroductionDengue Fever continues to pose a global threat due to the widespread distribution of its vector mosquitoes, Aedes aegypti and Aedes albopictus. While the WHO-approved vaccine, Dengvaxia, and antiviral treatments like Balapiravir and Celgosivir are available, challenges such as drug resis...

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Main Authors: George Hanson, Joseph Adams, Daveson I. B. Kepgang, Luke S. Zondagh, Lewis Tem Bueh, Andy Asante, Soham A. Shirolkar, Maureen Kisaakye, Hem Bondarwad, Olaitan I. Awe
Format: Article
Language:English
Published: Frontiers Media S.A. 2024-12-01
Series:Frontiers in Chemistry
Subjects:
molecular docking
drug discovery
machine learning
dengue virus
molecular dynamics simulation
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2024.1510029/full
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https://www.frontiersin.org/articles/10.3389/fchem.2024.1510029/full

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