Molecular Docking Approach on Thiazolidinedione Analogs as HIV-1-RT Inhibitors

Abstract

Potentially life threatening condition due to chronic syndrome caused by human immunodeficiency virus (HIV) is known as Acquired immunodeficiency syndrome(AIDS).Virus weakens the immune system of human being and body’s ability to fight against the organism, thereby causing the disease. When a person becomes infected with HIV, the virus attacks and weakens the immune system. In the given study, molecular docking study was performed on 30polysubstitutedThiazolidinedione (TZD) analogs as HIV-1 reverse transcriptase (HIV-1-RT) inhibitors PDB code: 1RT2 (HIV-1 reverse transcriptase complexed with TNK-651). Molecular docking result revealed that the most active compound was Thio-18 to the active site of protein with amino acid Gly-93, Asn-137 and Gln-161. Further in vitro and in vivo study of TZD analogs can be done for HIV-1-RT inhibitors.

Keywords: HIV-1 reverse transcriptase (HIV-1-RT) inhibitors, immunodeficiency, molecular docking, thiazolidinedione (TZD) analogs, TNK-651, PDB 1RT2

Cite this Article

Shikha Sharma, Arun Kumar Gupta. Molecular Docking Approach on Thiazolidinedione Analogs as HIV-1-RT Inhibitors. Research & Reviews: A Journal of Bioinformatics. 2020; 7(1): 1–6p.