The role of weak interactions in evaluation of inhibitory potential of Indinavir as an HIV protease inhibitor and its comparison with innovative drug candidates

M Yoosefian, H Sabaghian - Computers in Biology and Medicine, 2025 - Elsevier
Designing and employing enzyme inhibitors against viral enzymes is one of the innovative
and efficient approaches to treating viral diseases. These inhibitors can disrupt the viral …

Drug design: new inhibitors for HIV-1 protease based on Nelfinavir as lead

MAS Perez, PA Fernandes, MJ Ramos - Journal of Molecular Graphics and …, 2007 - Elsevier
Nelfinavir (Viracept®) is a potent, non-peptidic inhibitor of HIV-1 Protease, which has been
marketed for the treatment of HIV infected patients. However, HIV-1 develops drug …

In silico evaluation of atazanavir as a potential HIV main protease inhibitor and its comparison with new designed analogs

M Yoosefian, MZ Moghani, A Juan - Computers in Biology and Medicine, 2022 - Elsevier
Starting three decades ago and spreading rapidly around the world, acquired
immunodeficiency syndrome (AIDS) is an infectious disease distinct from other contagious …

In silico analyzes for the inhibition of HIV protease by ritonavir and indinavir

M Beihaghi, H Tehrani, N Akbari… - … in Biotechnology and …, 2022 - rbes.rovedar.com
Introduction: This research was conducted to investigate the molecular interaction of HIV
protease inhibitor drugs using molecular docking. HIV protease is responsible for …

Studies on flexibility and binding affinity of Asp25 of HIV-1 protease mutants

R Purohit, R Rajasekaran, C Sudandiradoss… - International journal of …, 2008 - Elsevier
We have investigated and highlighted the behavior of binding residue, Asp25 by
computational analysis, which play an important role in understanding docking process with …

In silico screening of indinavir-based compounds targeting proteolytic activity in HIV PR: binding pocket fit approach

C Selvaraj, SK Singh, SK Tripathi, KK Reddy… - Medicinal Chemistry …, 2012 - Springer
The intense research on small molecule inhibitors of Human immunodeficiency virus (HIV)-
protease (PR) has produced a diverse class of chemical scaffolds which includes clinically …

[HTML][HTML] Effect of biomolecular conformation on docking simulation: a case study on a potent HIV-1 protease inhibitor

N Razzaghi-Asl, S Sepehri, A Ebadi, R Miri… - Iranian journal of …, 2015 - ncbi.nlm.nih.gov
Human immunodeficiency virus infection/acquired immunodeficiency syndrome (HIV/AIDS)
is a disease pertained to the human immune system. Given its crucial role in viral replication …

Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from …

GD Hu, T Zhu, SL Zhang, D Wang, QG Zhang - European journal of …, 2010 - Elsevier
The single mutations I50V, V82A and I84V are considered as the key residue mutations of
the HIV-1 protease drug resistance. The rank of calculated absolute binding free energies …

Molecular dynamics and free energy studies on the wild-type and mutated HIV-1 protease complexed with four approved drugs: mechanism of binding and drug …

S Alcaro, A Artese… - Journal of chemical …, 2009 - ACS Publications
The current strategy to improve the quality of life of Human Immunodeficiency Virus (HIV)
infected individuals through suppressing viral replication and maintaining the virus at low to …

[PDF][PDF] Molecular docking studies and comparative binding mode analysis of FDA approved HIV protease inhibitors

PK Deb, A Junaid, D El-Rabie, TY Hon… - Asian Journal of …, 2014 - researchgate.net
The HIV protease enzyme (maturation enzyme) is one of the most promising therapeutic
targets for the treatment of AIDS. Due to the mutation in the virus, there is always room for …