In Silico Investigation of Flavanone Compounds\' Inhibitory Effects on Alpha-Amylase Enzyme and Predicting their Inhibitory Role in Diabetes Progression
Background & Objective: Diabetes is one of the most common metabolic disorders. Alpha-amylase plays an important role in the development of diabetes by breaking down polysaccharide. Therefore, the search for natural inhibitor for α-amylase is of particular importance. Therefore, the aim of this...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Fasa University of Medical Sciences
2020-11-01
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| Series: | Journal of Advanced Biomedical Sciences |
| Subjects: | |
| Online Access: | http://jabs.fums.ac.ir/article-1-2403-en.pdf |
| Summary: | Background & Objective: Diabetes is one of the most common metabolic disorders. Alpha-amylase plays an important role in the development of diabetes by breaking down polysaccharide. Therefore, the search for natural inhibitor for α-amylase is of particular importance. Therefore, the aim of this study was to investigate the inhibitory effect of flavanone compounds on α-amylase enzyme by bioinformatics method.
Material & Methods: This study was performed in the computer environment (Bioinformatics). For this purpose, the structure of flavanone compounds and α-amylase was downloaded from PubChem & Protein Data Ban database, respectively. Then, the drug-like parameter and physicochemical properties of flavanone compounds were investigated by Zink database and the Swiss ADME server, respectively. Then, in order to interact the compounds with α-amylase, one molecular docking software AutoDock Tools 6.0 was used. Finally, the results were analyzed using Discovery Studio 3.5.
Results: The results showed that among the selected flavanone, naringenin compound was more desirable in terms of drug-like and physicochemical properties. Also, the result of molecular docking showed that the naringenin compound with a binding energy of -4.9 kcal/mol had the highest inhibitory effect on the α-amylase.
Conclusion: From this study, it can be calculated that naringenin compound shows more inhibitory ability due to its proper placement in the active site of α-amylase enzyme and interaction of key amino acids. By further investigation of this natural compound in In vivo & In vitro, it can be used as a natural inhibitor for the inhibition of α-amylase and the prevention of diabetes. |
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| ISSN: | 2228-5105 2783-1523 |