Dehydroacetic Acid-Phenylhydrazone as a Potential Inhibitor for Wild-Type HIV-1 Protease: Structural, DFT, Molecular Dynamics, 3D QSAR and ADMET Characteristics

Despite several studies towards anti-HIV therapy, HIV infections remain a challenge due to the resistivity of developed drugs. The emergence of new HIV-1 PR mutations has led to the drug resistance of the available FDA-approved drugs and lower activity towards the HIV protease. Based on this the mol...

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Bibliographic Details
Main Authors: Collins Ugochukwu Ibeji, Ujam Oguejiofo, Charles Chukwuma Chime, Kovo Godfrey Akpomie, Chigozie John Onyinye Anarado, Olufemi Abiola Odewole, Maria Grishina, Valdimir Potemkin
Format: Article
Language:English
Published: Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR 2021-02-01
Series:Iranian Journal of Chemistry & Chemical Engineering
Subjects:
dft
Online Access:http://www.ijcce.ac.ir/article_36702_5c21766d3a59d36b5dc5b0738962e091.pdf