In-silico molecular docking analysis of andrographolide derived from andrographis paniculata as potential anti-hiv agent targeting hiv-1 reverse transcriptase

Abstract

AIDS (Acquired immunodeficiency syndrome) is a life hostile infection of the humanoid immune structure triggered by HIV (human immunodeficiency virus). Operative inhibition of RT (reverse transcriptase) action is a noticeable clinically feasible tactic for the handling of AIDS. To improve therapeutic choices in contradiction of AIDS we examined novel herbal composite Andrographolide derived from Andrographis paniculata identified to have notable antiviral efficacy. Our docking studies recognized such herbal novel molecule Andrographolide that can bind HIV-1RT with great attraction to basis non-competitive inhibition. Consequences are also matched with US FDA approved medicine Nevirapine. Docking study proposes that the ligand Andrographolide has solid binding interfaces with Tyr181, Tyr188, Trp229, Leu100, Val179, Tyr318, Lys101, Pro236, Val106 and Leu234 amino acids, which be appropriate to one or other catalytic pockets of HIV-1 reverse transcriptase. Predictably, these interfaces could be serious in the inhibitory action of the HIV-1 RT. Hence, this study delivers an indication for deliberation of Andrographolide as an appreciated accepted molecule in the managing and prevention of HIV-opportunistic infections.