In-Silico Test Against Sinensetin Activity as One of the Flavoid Natural Compounds of Orthosiphon Stamineus in Crushing Kidney Stones

EasyChair Preprint 7156

Abstract

 Orthosiphon stamineus is a type of herbal plant that contains many active chemical compounds, one of which is sinensetin which can be used as a drug in destroying kidney stones. This research The aim of this study was to determine the bioactivity of the sinensetin compound in destroying kidney stonesbased on reverse docking studies. The structure of the chemical constituents of sinensetin collected from the published literature. Water molecules and ligands are removed using PyMOL v1.7.4.5 (Schrödinger) software. Test  Molecular docking was performed using PyRx 0.8 software. Prediction and significant descriptors of Physicochemical Properties, Lipophilicity, Pharmacokinetics and Druglikeness properties of compounds were predicted using Swissadme. Research result showed that sinensetin had greater potency in destroy kidney stones based on their binding affinity and interactions between the molecules. Sinensetin binding affinity to proteinP-Glycoprotein (P-GP) is -8.6, while the binding affinity P-Glycoprotein (P-Gp) with the control compound of tamsulosin was -9.5. The AMES test shows that sinensetin is neither a potential mutagen nor a carcinogen.

Keyphrases: P-glycoprotein (P-gp), Sinensetin, Tamsulosin

@booklet{EasyChair:7156,
  author    = {Nur Sehang and Mochammad Hatta and Isra Wahid and Sul Fahri},
  title     = {In-Silico Test Against Sinensetin Activity as One of the Flavoid Natural Compounds of Orthosiphon Stamineus in Crushing Kidney Stones},
  howpublished = {EasyChair Preprint 7156},
  year      = {EasyChair, 2021}}