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 …

Discovery of novel HIV protease inhibitors using modern computational techniques

SN Okafor, P Angsantikul, H Ahmed - International Journal of Molecular …, 2022 - mdpi.com
The human immunodeficiency virus type 1 (HIV-1) has continued to be a global concern.
With the new HIV incidence, the emergence of multi-drug resistance and the untoward side …

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 …

Investigation of novel indole-based HIV-1 protease inhibitors using virtual screening and text mining

K Sahin - Journal of Biomolecular Structure and Dynamics, 2021 - Taylor & Francis
Human immunodeficiency virus type 1 protease (HIV-1 PR) inhibitors have been used as
possible therapeutic agents for HIV-1 infection in clinical study. Most of the HIV therapy …

Comparative studies on inhibitors of HIV protease: a target for drug design

S Jayaraman, K Shah - In Silico Biology, 2008 - content.iospress.com
Bioinformatics tools are employed lately for in silico structure-function analysis of proteins.
HIV protease inhibitors nelfinavir and tipranavir belong to the extended multi-ring systems …

HIVprotI: an integrated web based platform for prediction and design of HIV proteins inhibitors

A Qureshi, A Rajput, G Kaur, M Kumar - Journal of Cheminformatics, 2018 - Springer
A number of anti-retroviral drugs are being used for treating Human Immunodeficiency Virus
(HIV) infection. Due to emergence of drug resistant strains, there is a constant quest to …

[HTML][HTML] Lead expansion and virtual screening of Indinavir derivate HIV-1 protease inhibitors using pharmacophoric-shape similarity scoring function

S Shityakov, T Dandekar - Bioinformation, 2010 - ncbi.nlm.nih.gov
Indinavir (Crivaxan®) is a potent inhibitor of the HIV (human immunodeficiency virus)
protease. This enzyme has an important role in viral replication and is considered to be very …

Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors

VM Khedkar, PK Ambre, J Verma, MS Shaikh… - Journal of molecular …, 2010 - Springer
HIV-1 protease is an obligatory enzyme in the replication process of the HIV virus. The
abundance of structural information on HIV-1PR has made the enzyme an attractive target …

An insight to the molecular interactions of the FDA approved HIV PR drugs against L38L↑ N↑ L PR mutant

ZK Sanusi, T Govender, GEM Maguire… - Journal of Computer …, 2018 - Springer
The aspartate protease of the human immune deficiency type-1 virus (HIV-1) has become a
crucial antiviral target in which many useful antiretroviral inhibitors have been developed …

[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 …