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Article

Contrasting the effect of hinge region insertions and non-active site mutations on HIV protease-inhibitor interactions: Insights from altered flap dynamics.

Journal of molecular graphics & modelling - 1 Dec 2024

Mokhantso Tshele, Sherry Dean, Worth Roland, Pandian Ramesh, Achilonu Ikechukwu, Sayed Yasien

Abstract excerpt

HIV-1 protease (PR) enzyme is a viable antiretroviral drug target due to its crucial role in HIV maturation. Over many decades, the HIV-1 PR enzyme has exhibited mutations brought on by drug pressure and error-prone nature of HIV-1 reverse transcriptase. Non-active site mutations have played a pivotal role in drug resistance; however, their mechanism of action has not been fully elucidated. We investigated how...

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Identifiers

PMID: 39226791
DOI: 10.1016/j.jmgm.2024.108850

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