Citation
Abstract
Diabetes is a chronic disease with a high mortality rate worldwide and can cause other diseases such as kidney damage, narrowing of blood vessels, and heart disease. The concomitant use of drugs such as metformin, sulfonylurea, miglitol, and acarbose may cause side effects with long-term administration. Therefore, natural ingredients are the best choice, considering that their long-term side effects are not significant. One of the compounds that can be used as a candidate antidiabetic is mangostin; however, information on the molecular mechanism needs to be further analyzed through molecular docking, simulating molecular dynamics, and testing the in silico antidiabetic potential. This study focused on modeling the protein structure, molecular docking, and molecular dynamics simulations and analyses. This process produces RMSD values, free energies, and intermolecular hydrogen bonding. Based on the analysis results, all molecular dynamics simulations can occur under physiological conditions, and γ-mangostin is the best among the test compounds.
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Official URL or Download Paper: https://www.mdpi.com/2079-7737/11/12/1837
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Additional Metadata
Item Type: | Article |
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Divisions: | Faculty of Food Science and Technology |
DOI Number: | https://doi.org/10.3390/biology11121837 |
Publisher: | MDPI AG |
Keywords: | Anti-diabetic; Diabetes; In silico; Mangostin |
Depositing User: | Ms. Che Wa Zakaria |
Date Deposited: | 08 Jun 2023 08:27 |
Last Modified: | 08 Jun 2023 08:27 |
Altmetrics: | http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.3390/biology11121837 |
URI: | http://psasir.upm.edu.my/id/eprint/101937 |
Statistic Details: | View Download Statistic |
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