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DISCOVERING POTENTIAL OF Sonchus arvensis NATURAL COMPOUNDS IN NEPHROLITHIASIS TREATMENT BASED ON REVERSE DOCKING ANALYSIS
Rulyana Salma Rosadha (1), Betty Lukiati (1), Mohamad Amin (1)

Department of Biology, Faculty of Mathematics and Sciences, Universitas Negeri Malang, Indonesia

Corresponding author: mohamad.amin.fmipa[at]um.ac.id


Abstract

Nephrolithiasis is the most common kidney disease in Indonesia. One of the natural treatments for nephrolithiasis that is by using Sonchus arvensis plant. The purpose of this study was to determine the potential of Sonchus arvensis natural compounds in the nephrolithiasis treatment using reverse docking analysis. The reverse docking method is used to prove the potential of a compound through several databases and softwares. The results of reverse docking showed interaction of predictive compounds with target proteins, binding affinity, and predictive compounds- binding sites with target proteins. The predicted compounds results of reverse docking were tested for toxicity using Toxtree v2.6.13 software and bio oral potential with the Rule of Five Lipinski. The results showed that one of predicted compounds named Apigenin 7 glucoside has potential as an anti-nephrolithiasis-s candidate.

Keywords: apigenin 7 glucoside, nephrolithiasis, reverse docking, Sonchus arvensis

Topic: Bioinformatics

Link: https://ifory.id/abstract/Q8gtAVGrEUDj

Conference: International Conference on Life Sciences and Technology (ICoLiST 2019)

Plain Format | Corresponding Author (Rulyana Salma Rosadha)

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