Virtual Screening for Novel HIV-Reverse Transcriptase Inhibitors
Journal Title: Pakistan Journal of Pharmaceutical Research - Year 2017, Vol 3, Issue 1
Abstract
HIV–1 (human immunodeficiency virus type–1) is the disease causing agent for AIDS. It is pathogenic retrovirus which joined in a long polypeptide chain when viral RNA is translated into a polypeptide sequence. It contains different proteins like reverse transcriptase, protease, integrase, etc. These proteins have to be altered from polypeptide chain before these enzymes become to start function. Reverse transcriptase is inhibited by. We applied existing system by virtual screening analysis of HIV-RT from PDB database versus chemical compounds from ZINC database using “Autodockvina” and “cornia sketch tool”. Different hypothetical ligands were deliberate on cornia sketch tool and their structures were docked with (HIV-RT) PDB file. The structure with best recording was selected and the database of zinc was separated for similar structures and consequences in 18 hits.
Authors and Affiliations
Ardas Masood
Keywords
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