In silico approach to inhibit Synthetic HIV-TAT activity using Phytoconstituents of Moringa oleifera leaves extract

Abstract

TAT (Trans-activator-Transcription Protein), a viral protein is encoded by the TAT gene in HIV-1-which is a lethal subtype of HIV (Human immunodeficiency Virus). It is vital for the transcription of the viral genome. Previous studies show that in Human TAT is a toxin-producing protein allowing cell death in normal T-cells. Thereafter allows for progression towards AIDS (Acquired immunodeficiency syndrome). Traditionally herbal medicines have played a vital role in the treatment of many diseases and ailments. Although studies have been conducted to find anti-HIV activities against other HIV-1 proteins, there are no traces of studies against HIV Trans-activator-Transcription protein (PDB: 1JFW). The main objective of this study is to find an efficacious inhibitor against a synthetic HIV-TAT protein (PDB: IJFW). After a thorough literature survey, the molecular and biological activity random compounds of Moringa oleifera (drum-stick plant) have been recorded for molecular and biological activities to evaluate drug-likeness of the compounds. Thereafter which the highest binding affinity compound was identified by performing protein-ligand docking analysis. Finally, the compound with the highest binding affinity along with its measurement has been visualized and recorded using the Pymol software. This study can further be confirmed using molecular dynamics to identify the lead inhibitor against HIV-1 TAT protein.