این سایت در حال حاضر پشتیبانی نمی شود و امکان دارد داده های نشریات بروز نباشند
Iranian Journal of Chemistry and Chemical Engineering، جلد ۴۰، شماره ۶، صفحات ۲۰۱۹-۲۰۲۷
عنوان فارسی
چکیده فارسی مقاله
کلیدواژه‌های فارسی مقاله
عنوان انگلیسی Molecular Docking and Computational Exploration of Isolated Drugs from Daphne Species Against COVID-19
چکیده انگلیسی مقاله The SARS-CoV-2 has initiated in Wuhan city of China and then extend all around the world as a health emergency. It begins a new research area to produce potential drugs using data-driven approaches to identify potential therapies for the treatment of the virus. This is the time to develop specific antiviral drugs using molecular docking, quantum chemical approaches, and natural products. The protease inhibitors that constitute plant derivatives may become highly efficient to cure virus-prompted illnesses. A systematic study of isolated phytochemicals was executed then frontier molecular orbitals, docking score, molecular descriptors, and active sites were compared with favipiravir, dexamethasone, redeliver, and hydroxychloroquine which are being used against COVID19 nowadays. This is the first study on the phytochemicals of Daphne species to explore their anti-SARS-CoV-2 behavior by molecular docking and quantum chemical methods.  
کلیدواژه‌های انگلیسی مقاله COVID-19,Bio-guided isolation,Daphne,Molecular Docking,Quantum chemical exploration,In-silico studies
نویسندگان مقاله Ahmad Irfan |
Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha 61413, SAUDI ARABIA

Muhammad Imran |
Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha 61413, SAUDI ARABIA

Muhammad Waseem Mumtaz |
Department of Chemistry, University of Gujrat, Gujrat-50700, PAKISTAN

Muhammad Asim Raza Basra |
Center for Clinical and Nutritional Chemistry, School of Chemistry, University of Punjab, New Campus, Lahore, PAKISTAN

نشانی اینترنتی https://ijcce.ac.ir/article_249755_39e34ffa90f6fc47a5cf5c5efd359ac7.pdf
فایل مقاله فایلی برای مقاله ذخیره نشده است
کد مقاله (doi)
زبان مقاله منتشر شده en
موضوعات مقاله منتشر شده
نوع مقاله منتشر شده
برگشت به: صفحه اول پایگاه   |   نسخه مرتبط   |   نشریه مرتبط   |   فهرست نشریات