Effects of hinge-region natural polymorphisms on human immunodeficiency virus-type 1 protease structure, dynamics, and drug pressure evolution

Z Liu, X Huang, L Hu, L Pham, KM Poole… - Journal of Biological …, 2016 - ASBMB
Multidrug resistance to current Food and Drug Administration-approved HIV-1 protease (PR)
inhibitors drives the need to understand the fundamental mechanisms of how drug pressure …

Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism

D Sherry, R Pandian, Y Sayed - International Journal of Biological …, 2022 - Elsevier
The global HIV/AIDS epidemic still currently affects approximately 38 million individuals
globally. The protease enzyme of the human immunodeficiency virus is a major drug target …

Molecular alteration in drug susceptibility against subtype B and C-SA HIV-1 proteases: MD study

AK Halder, B Honarparvar - Structural Chemistry, 2019 - Springer
Abstract HIV-1 protease (HIV PR) is one of the most promising targets for anti-HIV drug
discovery. Extensive anti-HIV drug discovery research was focused on HIV-1 subtype B …

Cantilever-centric mechanism of cooperative non-active site mutations in HIV protease: Implications for flap dynamics

D Sherry, R Worth, ZS Ismail, Y Sayed - Journal of Molecular Graphics and …, 2021 - Elsevier
The HIV-1 protease is an important drug target in antiretroviral therapy due to the crucial role
it plays in viral maturation. A greater understanding of the dynamics of the protease as a …

Concerted hydrolysis mechanism of HIV-1 natural substrate against subtypes B and C-SA PR: Insight through molecular dynamics and hybrid QM/MM studies

ZK Sanusi, MM Lawal, T Govender… - Physical Chemistry …, 2020 - pubs.rsc.org
It is well known that understanding the catalytic mechanism of HIV-1 PR is the rationale on
which its inhibitors were developed; therefore, a better understanding of the mechanism of …

Binding kinetics of highly mutated HIV-1 subtype C protease inhibition by Lopinavir and Darunavir in the face of altered conformational dynamics

S Eche, A Kumar, N Sonela… - Journal of Biomolecular …, 2024 - Taylor & Francis
Highly mutated HIV-1 protease (PR) compromises the efficacy of lopinavir (LPV) and
darunavir (DRV) used to formulate salvage regimens in HIV/AIDS management. Here, we …

Exploring the flap dynamics of the South African HIV subtype C protease in presence of FDA‐approved inhibitors: MD study

SI Maphumulo, AK Halder, T Govender… - Chemical biology & …, 2018 - Wiley Online Library
HIV‐1 protease (HIV PR) is considered as one of the most attractive targets for the treatment
of HIV and the impact of flap dynamics of HIV PR on the binding affinities of protease …

Elasticity-Associated Functionality and Inhibition of the HIV Protease

D Sherry, R Worth, Y Sayed - Protein Reviews: Volume 22, 2021 - Springer
HIV protease plays a critical role in the life cycle of the virus through the generation of
mature and infectious virions. Detailed knowledge of the structure of the enzyme and its …

HIV-1 subtype C protease: enzyme kinetics, thermodynamics, and X-ray crystal structure

NP Dlamini - 2023 - wiredspace.wits.ac.za
Human immunodeficiency virus (HIV), a precursor for AIDS is still one of the most
devastating pandemics in history. In 2021 alone there were 650 000 deaths associated with …

[PDF][PDF] Biochemical and biophysical analysis of a hinge region protease variant in HIV-1 subtype C

T Mokhantso - 2023 - wiredspace.wits.ac.za
HIV-1 protease plays a crucial role in the maturation of the virus by cleaving gag and gag-
pol polyproteins. Understanding the structural and functional consequences of mutations in …