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 …

[HTML][HTML] Molecular docking-based screening for novel inhibitors of the human immunodeficiency virus type 1 protease that effectively reduce the viral replication in …

C Mavian, RM Coman, X Zhang… - Journal of AIDS & …, 2021 - ncbi.nlm.nih.gov
Therapeutic pressure by protease inhibitors (PIs) contributes to accumulation of mutations in
the HIV type 1 (HIV-1) protease (PR) leading to development of drug resistance with …

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 …

Computational analysis of HIV-1 protease protein binding pockets

GM Ko, AS Reddy, S Kumar, BA Bailey… - Journal of chemical …, 2010 - ACS Publications
Mutations that arise in HIV-1 protease after exposure to various HIV-1 protease inhibitors
have proved to be a difficult aspect in the treatment of HIV. Mutations in the binding pocket of …

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 …

Structure‐based discovery of tipranavir disodium (PNU‐140690E): a potent, orally bioavailable, nonpeptidic HIV protease inhibitor

S Thaisrivongs, JW Strohbach - Peptide Science, 1999 - Wiley Online Library
Efforts to develop therapeutically relevant HIV protease inhibitors as medicinal agents in
confronting the AIDS crisis have been aided by the wealth of fundamental information …

[PDF][PDF] Molecular docking studies of thiazole Schiff's bases as HIV1-protease inhibitors

ML Doss, KG Lalitha - J. Curr. Chem. Pharm. Sci, 2011 - researchgate.net
Structure-based drug design by use of structural biology remains one of the most logical and
aesthetically pleasing approaches in drug discover paradigms. Managing AIDS, is the most …

An in silico pharmacological approach toward the discovery of potent inhibitors to combat drug resistance HIV‐1 protease variants

C Nayak, I Chandra, SK Singh - Journal of Cellular …, 2019 - Wiley Online Library
Protease inhibitors (PIs) are crucial drugs in highly active antiretroviral therapy for human
immunodeficiency virus‐1 (HIV‐1) infections. However, resistance owing to mutations …