fa ارزیابی بیوانفورماتیک عملکرد مهاری ترکیبات فلاوانونی بر روی آنزیم آلفاآمیلاز و پیش‌بینی اثر مهاری آن‌ها بر پیشرفت دیابت بيوشيمي بالینی Biochemistry پژوهشي Research <div style="text-align: justify;"><br> <strong><em>Background & Objective:</em></strong> 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 &alpha;-amylase is of particular importance. Therefore, the aim of this study was to investigate the inhibitory effect of flavanone compounds on &alpha;-amylase enzyme by bioinformatics method.<br> <strong><em>Material & Methods:</em></strong> This study was performed in the computer environment (Bioinformatics). For this purpose, the structure of flavanone compounds and &alpha;-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 &alpha;-amylase, one molecular docking software AutoDock Tools 6.0 was used. Finally, the results were analyzed using Discovery Studio 3.5.<br> <strong><em>Results:</em></strong> 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 &alpha;-amylase.<br> <strong><em>Conclusion:</em></strong> From this study, it can be calculated that naringenin compound shows more inhibitory ability due to its proper placement in the active site of &alpha;-amylase enzyme and interaction of key amino acids. By further investigation of this natural compound in <em>In vivo</em> & <em>In vitro</em>, it can be used as a natural inhibitor for the inhibition of &alpha;-amylase and the prevention of diabetes.</div> &nbsp;<br> &nbsp; Alpha- amylase, Flavanone compounds, Diabete, Molecular Docking 2786 2795 http://jabs.fums.ac.ir/browse.php?a_code=A-10-2208-1&slc_lang=fa&sid=1 Morteza Sadeghi مرتضی صادقی mo.sadeghi@sci.ui.ac.ir 3790193364 100319475328460023973 Yes Department of Cell and Molecular Biology & Microbiology, Faculty of Biological Sciences and Technology, University of Isfahan, Isfahan, Iran گروه زیست شناسی سلولی مولکولی و میکروبیولوژی، دانشکده علوم و فناوری های زیستی، دانشگاه اصفهان، اصفهان، ایران Mehran Miroliaei مهران میراولیایی mmiroliaei@yahoo.com 100319475328460023974 100319475328460023974 No Department of Cell and Molecular Biology & Microbiology, Faculty of Biological Sciences and Technology, University of Isfahan, Isfahan, Iran گروه زیست شناسی سلولی مولکولی و میکروبیولوژی، دانشکده علوم و فناوری های زیستی، دانشگاه اصفهان، اصفهان، ایران Zahra Shorakai زهرا شرکائی 100319475328460023975 100319475328460023975 No Department of Cell and Molecular Biology & Microbiology, Faculty of Biological Sciences and Technology, University of Isfahan, Isfahan, Iran گروه زیست شناسی سلولی مولکولی و میکروبیولوژی، دانشکده علوم و فناوری های زیستی، دانشگاه اصفهان، اصفهان، ایران