نوع مقاله : مقاله پژوهشی کامل
نویسنده
چکیده
کرونا ویروس (COV) جدید، 2-SARS-COVID در اواخر سال 2019 در ووهان، چین ظاهر شد و در سراسر جهان گسترش یافت. در این تحقیق، یک مطالعه بر روی COVID-19 و چندین مهارکننده بالینی انجام شده است، ابتدا شبیه سازی مولکولی COVID-19 توسط ابزار Gromacs انجام شد. سپس ترکیبات شبیه سازی شده با داروهای پیشنهادی برای تأیید داکینگ، داک شدند. نتایج داکینگ به مولکولی مشابه نتایج کریستالوگرافی اشعه ایکس در بانک داده پروتئین بود و تجزیه و تحلیل با این روش تأیید شد. ترکیب حاصل از داروهای گزارش شده با COVID-19 برای تجزیه و تحلیل متصل استفاده شد. علاوه بر این، برای مطالعه پایداری ترکیب گیرنده، یک شبیه سازی دوم بر روی مجموعه در یک محیط آبی انجام شد و RMSD به دست آمده برای کمپلکس، نشان داد که ترکیب COVID-19 در حضور داروهای پیشنهادی تغییری نداشته است. نتایج نشان داد که انرژی آزاد اتصال ، انرژی بین مولکولی و پیوند هیدروژنی نقش مهمی در تعامل بین داروهای پیشنهادی و- COVID-19 ایفا می کند. نتایج نشان داد که سوفوسبوویر، ویتامین D و 2aurintricarboxylic اسید به عنوان داروهای ضد ویروس کرونا COVID-19 بیشترین تأثیر را دارند.
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