In silico drug designing of protease inhibitors to find the potential drug candidate for HIV1

摘要

Acquired immunodeficiency syndrome (AIDS)was first reported by the us centre of disease (CDC),a few years later it was found that's a retrovirus called human immune deficiency virus (HIV) and this causative agent in AIDS, the study of HIV protease is one of the most important approaches for the therapeutic intervention in HIV infection and their development is regarded as major success of design, HIV attacks on the CD4+ (T helper cells in human) lymphocyte and these are key component of the body's immune system. The present anti retroviral HIV drugs targets based on three protein reverse transcriptase, protease, integrase in this project work on protease enzyme for block the protein malfunction who is responsible for this activity with the help of computer aided drug designing and the best dynamical and statical parameters like homology modeling, model verification, binding site identification, docking, according there procedure active and effective site of the protease is determined and dock with suitable ligand with receptor and calculate the statical values, NVP is the most suitable ligand and can be use as a inhibit the activity of protease enzyme NVP molecule with a drug likeness property can be considered for in vitro and finally it can acts as a potential lead inhibitor for HIV1.