Unknown

Dataset Information

0

In Silico Study of Mangostin Compounds and Its Derivatives as Inhibitors of α-Glucosidase Enzymes for Anti-Diabetic Studies.

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.

SUBMITTER: Maulana AF 

PROVIDER: S-EPMC9775444 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

In Silico Study of Mangostin Compounds and Its Derivatives as Inhibitors of α-Glucosidase Enzymes for Anti-Diabetic Studies.

Maulana Ahmad Fariz AF   Sriwidodo Sriwidodo S   Rukayadi Yaya Y   Maksum Iman Permana IP  

Biology 20221216 12

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 mangost  ...[more]

Similar Datasets

Unknown Novel oxadiazole derivatives as potent inhibitors of α-amylase and α-glucosidase enzymes: Synthesis, <i>in vitro</i> evaluation, and molecular docking studies.
| S-EPMC8976910 | biostudies-literature
Unknown Anti-α-Glucosidase and Antiglycation Activities of α-Mangostin and New Xanthenone Derivatives: Enzymatic Kinetics and Mechanistic Insights through In Vitro Studies.
| S-EPMC8777799 | biostudies-literature
Unknown Design, synthesis, and in silico studies of quinoline-based-benzo[d]imidazole bearing different acetamide derivatives as potent α-glucosidase inhibitors.
| S-EPMC9386204 | biostudies-literature
Unknown In Silico Approaches to Identify Polyphenol Compounds as α-Glucosidase and α-Amylase Inhibitors against Type-II Diabetes.
| S-EPMC8699780 | biostudies-literature
Unknown Synthesis and structure-activity relationship studies of benzimidazole-thioquinoline derivatives as α-glucosidase inhibitors.
| S-EPMC10020548 | biostudies-literature
Unknown <i>In vitro</i> and <i>in silico</i> studies of bis (indol-3-yl) methane derivatives as potential α-glucosidase and α-amylase inhibitors.
| S-EPMC8409970 | biostudies-literature
Unknown Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives.
| S-EPMC11379377 | biostudies-literature
Unknown Indole-carbohydrazide linked phenoxy-1,2,3-triazole-N-phenylacetamide derivatives as potent α-glucosidase inhibitors: design, synthesis, in vitro α-glucosidase inhibition, and computational studies.
| S-EPMC10268488 | biostudies-literature
Unknown Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Isatin-Thiazole Derivatives as α-Glucosidase Inhibitors.
| S-EPMC6154535 | biostudies-literature
Unknown Arylsulfonyl histamine derivatives as powerful and selective α-glucosidase inhibitors.
| S-EPMC7489258 | biostudies-literature