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ISSN 2063-5346
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In Silico Molecular Docking on Bioactive Compounds from Benincasa hispida against Type 2 Diabetic Target Protein: A Computational Approach

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K.Viswaja, Kasthuri Kannayiram, Sridevi G,Ponnulakshmi Rajagopal
» doi: 10.48047/ecb/2023.12.si7.266

Abstract

Diabetes is the ninth-leading cause of death worldwide and one of the most common metabolic diseases that can be lethal. Despite the fact that there are effective hypoglycemic drugs for the treatment of diabetes, researchers are still searching for a drug that is more effective and has less side effects by concentrating on different metabolic components such enzymes, transporters, and receptors. Blood glucose homeostasis is preserved by the enzyme glucokinase (GCK), which is mostly found in the liver and beta cells of the pancreas. Therefore, the goal of the current in silico study is to ascertain how GCK interacts with the substances (ligands) of Benincasahispida. We found that key residues including ARG-85, ASP-78, ASP-205, SER-151, THR-228, ASP-409, and LEU-415 significantly affect ligand binding affinity during the current docking experiment. This is a suitable molecule that docks well with the target of the treatment for diabetes, according to docking experiments of these compounds with target proteins. Based on the results of the current investigation, we conclude that the substances chitinase, ascorbic acid, beta-sitosterol, and galactose have anti-diabetic effect.

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