Machine-learning-based virtual screening and ligand docking identify potent HIV-1 protease inhibitors

Machine-learning-based virtual screening and ligand docking identify potent HIV-1 protease inhibitors

The human immunodeficiency virus type 1 (HIV-1) is a retrovirus that can cause acquired immunodeficiency syndrome (AIDS), severely weakening the immune system. The United Nations estimates that there are 37.7 million people with HIV worldwide. HIV-1 protease (PR) cleaves polyproteins to create the i...

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Bibliographic Details
Main Authors: Andrew K. Gao, Trevor B. Chen, Valentina L. Kouznetsova, Igor F. Tsigelny
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Artificial Intelligence Chemistry
Subjects:
HIV
Virtual screening
Drug repurposing
Machine learning
Drug discovery
Online Access:http://www.sciencedirect.com/science/article/pii/S2949747723000143

Internet

http://www.sciencedirect.com/science/article/pii/S2949747723000143

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