A combined 3D-QSAR and docking studies for the In-silico prediction of HIV-protease inhibitors.

ABSTRACT:

Background

Tremendous research from last twenty years has been pursued to cure human life against HIV virus. A large number of HIV protease inhibitors are in clinical trials but still it is an interesting target for researchers due to the viral ability to get mutated. Mutated viral strains led the drug ineffective but still used to increase the life span of HIV patients.

Results

In the present work, 3D-QSAR and docking studies were performed on a series of Danuravir derivatives, the most potent HIV- protease inhibitor known so far. Combined study of 3D-QSAR was applied for Danuravir derivatives using ligand-based and receptor-based protocols and generated models were compared. The results were in good agreement with the experimental results. Additionally, docking analysis of

SUBMITTER: Ul-Haq Z 

PROVIDER: S-EPMC3660290 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature