Virtual Screening for Novel HIV-Reverse Transcriptase Inhibitors
Journal: Pakistan Journal of Pharmaceutical Research (Vol.3, No. 1)Publication Date: 2017-01-01
Authors : Ardas Masood; Sania Ahmad; Asma Noor; Jawaria Khan; SibtainHaider; Muhammad Imran Qadir;
Page : 26-30
Keywords : HIV; reverse transcriptase; protease; virtual screening; RMSD; Zinc data base; Autodock grid;
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.
Other Latest Articles
- Gender specific correlation among fingerprint patterns and blood group in Pakistani population
- Physicochemical characterization of medicinal essential oil made obtained from the rhizome of Zingiber officinale (ginger), grown in San Carlos, Costa Rica, in order to standardize future hydroponic
- ANALYSIS OF BUSINESS DEVELOPMENT STRATEGIES THROUGH SIMULATION
- Antiphospholipid Antibodies – a tool for the screening of repeated spontaneous abortion
- Medical Waste in Pakistan and Environment Law
Last modified: 2021-03-06 18:09:48