COMPARATIVE STUDIES OF VARIOUS NNRTI’s IN THE ACTIVE SITE OF DIFFERENT HIV-1RT RECEPTORS

HIV is one of the most deadly viruses known to humans. It causes a disease, known as Acquired Immuno Deficiency Syndrome (or, AIDS). HIV-AIDS, is one of those deadly diseases, which is a fatal disease. There are only a handful drugs which are totally effective against the virus. This is due to the enzyme, reverse transcriptase, present within the virus. Due to various mutations in the enzyme, the virus becomes unresponsive towards the drugs. In the present study, the docking studies of the standard non-nucleoside reverse transcriptase inhibitors were done, in the non nucleoside inhibitory binding pocket of reverse transcriptase enzymes of wild type and the resistant strains of HIV-1RT virus with PDB ID’s- 1RT2, 1KLM, 3BGR and 1JLB respectively by using Autodock version 4.5.6. Comparison of different compounds docked into the active site of various HIV-1RT strains was carried out. The obtained results indicate that most of the compounds docked into the active site of the different receptors, such as- 1RT2,1KLM, 3BGR and 1JLB, with good docking scores, comparable to that of the internal standard (TNK 651) of the wild type strain of HIV-1 virus. A comparison was made based on the binding modes of the compounds in the active site of all the four receptors.