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غربالگری بیوانفورماتیکی بازدارنده‌های آلفاآمیلاز و آلفاگلوکوزیداز از ترکیبات مؤثر گیاهان دارویی زنیان، رازیانه، کلپوره و کاکوتی با استفاده از داکینگ مولکولی به‌منظور درمان بیماری دیابت | ||
| پژوهش های پیشرفته در گیاهان دارویی | ||
| دوره 2، شماره 3 - شماره پیاپی 4، آذر 1402، صفحه 17-31 اصل مقاله (1.75 M) | ||
| نوع مقاله: مقاله علمی- پژوهشی | ||
| شناسه دیجیتال (DOI): 10.30479/armp.2025.21949.1045 | ||
| نویسندگان | ||
| مژگان سلیمانی زاده* 1؛ داوود درویشی زیدآبادی2؛ صفا لطفی3 | ||
| 1استادیار، گروه علوم و مهندسی باغبانی، دانشکده کشاورزی و منابع طبیعی، دانشگاه هرمزگان، بندرعباس | ||
| 2استادیار، بخش تحقیقات جنگل و مرتع، مرکز تحقیقات و آموزش کشاورزی و منابع طبیعی استان کرمان، سازمان تحقیقات، آموزش و ترویج کشاورزی، کرمان | ||
| 3استادیار، گروه بیوتکنولوژی، پژوهشگاه علوم وتکنولوژی پیشرفته و علوم محیطی، دانشگاه تحصیلات تکمیلی صنعتی و فناوری پیشرفته، کرمان | ||
| تاریخ دریافت: 03 اردیبهشت 1404، تاریخ بازنگری: 01 خرداد 1404، تاریخ پذیرش: 10 خرداد 1404 | ||
| چکیده | ||
| بر اساس آخرین گزارش سازمان بهداشت جهانی، تا سال 2030 بیماری دیابت به هفتمین علت اصلی مرگ و میر در سراسر جهان تبدیل خواهد شد. پتانسیل زیادی برای کشف ترکیبات جدید از منابع طبیعی به‌عنوان یک رویکرد پیشگیری و درمان جایگزین که مقرون‌به‌صرفه و با عوارض جانبی کمتر باشد، برای کاهش بار این بیماری همه‌گیر وجود دارد. در طی این پژوهش 38 ترکیب دارویی ارزشمند از 4 گونه دارویی زنیان، رازیانه، کلپوره و کاکوتی جداسازی و اثر ضد دیابت آن‌ها با استفاده از نرم‌افزارهای بیوانفورماتیکی و روش داکینگ مولکولی در مقایسه با شاهد اثبات گردید. با توجه به هزینه‌های درمان مرسوم و اهمیت داروهای با منشأ گیاهی در درمان بیماری‌ها، در این پژوهش ترکیبات دارویی مهم را که می‌توانند برای درمان دیابت استفاده شوند و عاری از عوارض جانبی نامطلوب و اثرات دارویی قوی هستند از گیاهان دارویی با استفاده از روش بیوانفورماتیک جداسازی کرده و بهترین ترکیبات به‌عنوان کاندید برای درمان دیابت معرفی شدند. بالاترین و کمترین انرژی داکینگ به ترتیب مربوط به ترکیب دیوسمین و کامفور است. سپس فلاونوئید لوتئولین بیشترین توانایی را برای اتصال به این آنزیم نشان داد. از ترکیبات شاخص راهگشا برای کنترل و بهبود دیابت می‌توان به دیوسمین، لوتئولین و کوئرسیتین اشاره داشت. | ||
| کلیدواژه‌ها | ||
| بیوانفورماتیک؛ داکینگ مولکولی؛ کاکوتی؛ متابولیت دارویی | ||
| عنوان مقاله [English] | ||
| Bioinformatics screening of alpha-amylase and alpha-glucosidase inhibitors from active compounds of medicinal plants Trachyspermum ammi, Foeniculum vulgare, Teucrium polium, and Ziziphora clinopodioides using molecular docking for diabetes treatment | ||
| نویسندگان [English] | ||
| Mojgan Soleimanizadeh1؛ Davod Darvishi Zeidabadi2؛ Safa Lotfi3 | ||
| 1Assistant Professor, Dept. of Horticultural Science and Engineering, Faculty of Agriculture and Natural Resources, University of Hormozgan, Bandar Abbas, Iran | ||
| 2Assistant Professor, Dept. of Forest and Rangeland Research, Kerman Province Agricultural and Natural Resources Research and Education Center, Agricultural Research, Education and Promotion Organization, Kerman, Iran | ||
| 3Assistant Professor, Dept. of Biotechnology, Institute of Science and High Technology and Environmental Science, Graduate University of Advanced Technology, Kerman, Iran | ||
| چکیده [English] | ||
| According to the latest global report by the World Health Organization, by 2030, the metabolic disorder diabetes will become the seventh leading cause of death worldwide. There is considerable potential in discovering new compounds from natural sources as a cost-effective and low-side-effect alternative approach for the prevention and treatment of this widespread disease. In this study, 38 bioactive compounds were isolated from four medicinal plant species Trachyspermum ammi, Foeniculum vulgare, Teucrium polium, and Ziziphora clinopodioides. Their antidiabetic properties were evaluated using bioinformatics tools and molecular docking methods, compared to standard reference compounds. Given the high costs associated with conventional treatments and the growing importance of plant-derived drugs in modern medicine, this research aimed to identify potent plant-based compounds with minimal adverse effects for potential use in diabetes therapy. Among the evaluated compounds, diosmin exhibited the lowest (most favorable) docking energy, indicating the strongest binding affinity, while camphor showed the highest (least favorable) docking energy. Then, the flavonoid luteolin showed the greatest ability to bind to this enzyme. Key compounds identified as promising candidates for controlling and improving diabetes include diosmin, luteolin, and quercetin. | ||
| کلیدواژه‌ها [English] | ||
| Bioinformatics, Medicinal metabolite, Molecular docking, Ziziphora clinopodioides | ||
| مراجع | ||
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