In silico analysis of Potential Phytochemical Constituents of Orthosiphon stamineus as Significant Inhibitors Against Urolithiasis

Abstract

Naturally occurring bioactives from plant sources have played a significant role in developing multi-targeted drugs towards treatment of various human ailments. Urolithiasis is the process of stone formation in the kidney, urinary tract or in bladder. It occurs to 1 in 20 people at different phases of their life causing pain in the abdomen, flank or groin and bloody urine at times. The current study focuses on pythochemical activity of Orthosiphon stamineus(Java tea) that can act against kidney stone. The target proteins responsible for stone formation was identified through literature search and the three dimensional structures available was retrieved from Protein Data Bank and structures unavailable was modelled through computational methods. These proteins were docked against the phytochemicals and certain synthetic compounds which are commercially used for Urolithiasis. The best docked compounds and their interaction have been studied and it was identified that when compared to the synthetic compounds, there is high Volume 110|10-12 competence for phytochemicals in binding to the target proteins which suggests that these compounds can be used further for the process of designing a drug effectively against urolithiasis.