<i>In Silico</i> Evaluation of Bioactive Compounds from Gokshura (<i>Tribulus terrestris</i> L.) and <i>Punarnava</i> (<i>Boerhavia diffusa</i> L.) for their Nephroprotective Activity in Chronic Kidney Disease and Related Complications

Abstract

Kidney diseases are one of the leading causes of mortality worldwide. Diabetes and hypertension are the main causes of kidney failure resulting in 3 out of 4 new cases. Most of the conventional drugs used in various disease conditions are reported for their nephrotoxic actions and their continuous use can also damage the kidneys. Ayurveda recommends certain herbal drugs like Gokshura (Tribulus terrestris L.) and Punarnava (Boerhavia diffusa L.) which can control endstage kidney disease and its complications through the rejuvenation of the kidneys. The present study is an effort to show the nephroprotective potential of bioactive compounds present in Tribulus terrestris L. and Boerhavia diffusa L. against critical nephroprotective targets carbonic anhydrase II, renin, HIF propyl hydroxylase 2/ EGLN1, angiotensin-converting enzyme II, vasopressin receptor 2 against their respective standard drugs through in silico technique and to verify the probable efficacy of these herbs in chronic kidney disease against modern medication. Discovery Studio (DS Visualizer 2016) and Auto Dock tool (ADT Tools-1.5.6) were used for molecular docking. Among the major bioactive compounds screened, chlorogenin, hecogenin, diosgenin, neotigogenin and beta-sitosterol from Tribulus terrestris L., Beta-sitosterol, boerhavisterol, liriodenine, boerhadiffusene and ursolic acid from Boerhavia diffusa L. observed to exhibit significantly higher binding energy (BE) and inhibition constant (IC50) towards CA II, Renin, EGLN1, ACE II and V2R than their respective standard drugs. The study has demonstrated the nephroprotective activity of Tribulus terrestris L. and Boerhavia diffusa L. by inhibiting receptor activity against standard drug molecules.