In-Silico Test of Activity Genistein as a Natural Compound Against Osteoporosis in Post Menopausal Women

EasyChair Preprint 7186

Abstract

Sauropus androgynus  is widely used in traditional medicine for wound healing, inducing lactation, relief of urinary disorders, as an antidiabetic cure and also fever reduction. This study aimed to discover bioactivity of the genistein compound from Sauropus androgynus for the treatment of osteoporosis, especially in postmenopausal women. Structures of chemical constituents of Sauropus androgynus (genistein) was collected from the literature. The water molecule and ligands were removed by using PyMOL Software v1.7.4.5 (Schrodinger). Docking of target proteins were performed using the PyRx 0.8 software. Prediction and significant descriptors of Physicochemical properties, Lipophilicity, Pharmacokinetics and Druglikeness properties of the compounds were predicted using Swissadme. The results showed that genestein compounds has greater potential as an antiosteoporosis compared to the control compounds, based on its binding affinity and intermolecular interactions, the binding affinity of genistein with estrogen receptor alpha (ERα) protein is -7.4, while binding affinity estrogen receptor alpha (ERα) protein with the control compound alendronate is -5.0. AMES test showed that genistein is not a potential mutagens and not carcinogens. Druglikeness prediction showed that genestein fulfil the rules of Lipinski, Ghose, Veber, Egan and Muegge with 0.55 Bioavailability Score.

Keyphrases: Genistein, Sauropus androgynus, alendronate, antiosteoporosis, estrogen receptor alpha

@booklet{EasyChair:7186,
  author    = {Trinarti Senolangi and Ika Yustisia and Andi Ariyandy and Sulfahri},
  title     = {In-Silico Test of Activity Genistein as a Natural Compound Against Osteoporosis in Post Menopausal Women},
  howpublished = {EasyChair Preprint 7186},
  year      = {EasyChair, 2021}}