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:: Volume 10, Issue 4 (Winter 2020) ::
J Fasa Univ Med Sci 2020, 10(4): 2786-2795 Back to browse issues page
In Silico Investigation of Flavanone Compounds' Inhibitory Effects on Alpha-Amylase Enzyme and Predicting their Inhibitory Role in Diabetes Progression
Morteza Sadeghi 1, Mehran Miroliaei2 , Zahra Shorakai2
1- Department of Cell and Molecular Biology & Microbiology, Faculty of Biological Sciences and Technology, University of Isfahan, Isfahan, Iran , mo.sadeghi@sci.ui.ac.ir
2- Department of Cell and Molecular Biology & Microbiology, Faculty of Biological Sciences and Technology, University of Isfahan, Isfahan, Iran
Abstract:   (368 Views)

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.
 
 
Keywords: Alpha- amylase, Flavanone compounds, Diabete, Molecular Docking
Full-Text [PDF 1142 kb]   (78 Downloads)    
Type of Study: Research | Subject: Biochemistry
Received: 2020/08/6 | Accepted: 2020/09/30 | Published: 2021/01/29
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Sadeghi M, Miroliaei M, Shorakai Z. In Silico Investigation of Flavanone Compounds' Inhibitory Effects on Alpha-Amylase Enzyme and Predicting their Inhibitory Role in Diabetes Progression. J Fasa Univ Med Sci. 2020; 10 (4) :2786-2795
URL: http://jabs.fums.ac.ir/article-1-2403-en.html


Volume 10, Issue 4 (Winter 2020) Back to browse issues page
Journal of Fasa University of Medical Sciences
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