A combined ligand and structure-based drug design approach provides a synergistic
advantage over either methods performed individually. Present work bestows a good …

Pharmacoinformatics approaches are widely used in the field of drug discovery as it saves
time, investment and animal sacrifice. In the present study, pharmacore-based virtual …

The HIV-1 protease has proven to be a crucial component of the HIV replication machinery
and a reliable target for anti-HIV drug discovery. In this study, we applied an optimized …

A novel strategy for lead identification that we have dubbed the “Pocket-to-Lead” strategy is
demonstrated using HIV-1 protease as a model target. Sometimes, it is difficult to obtain hit …

Significant progress over the past decade in virtual representations of molecules and their
physicochemical properties has produced new drugs from virtual screening of the structures …

We developed a procedure that identifies" novel" biologically active compounds that are
expected to be distinct from known active compounds with respect to specificity and other …

Crystal structure of multidrug-resistant (MDR) clinical isolate 769, human immunodeficiency
virus type-1 (HIV-1) protease in complex with lopinavir (LPV)(PDB ID: 1RV7) showed altered …

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 …

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 …

Quantitative Structure Activity Relationship (QSAR) techniques are used routinely by
computational chemists in drug discovery and development to analyze datasets of …