Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis.

Autor:	Abdelmohsen UR; Department of Pharmacognosy, Faculty of Pharmacy, Deraya University 7 Universities Zone 61111 New Minia City Egypt.; Department of Pharmacognosy, Faculty of Pharmacy, Minia University Minia 61519 Egypt Usama.ramadan@mu.edu.eg., Albohy A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The British University in Egypt (BUE) Suez Desert Road El-Sherouk City Cairo 11837 Egypt amgad.albohy@bue.edu.eg basma.sabry@bue.edu.eg., Abdulrazik BS; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The British University in Egypt (BUE) Suez Desert Road El-Sherouk City Cairo 11837 Egypt amgad.albohy@bue.edu.eg basma.sabry@bue.edu.eg., Bayoumi SAL; Pharmacognosy Department, Faculty of Pharmacy, Assiut University Assiut 71526 Egypt soad.bayoumi@pharm.aun.edu.eg lourinmalak@aun.edu.eg iman.khallaf@pharm.aun.edu.eg farag_s@yahoo.com., Malak LG; Pharmacognosy Department, Faculty of Pharmacy, Assiut University Assiut 71526 Egypt soad.bayoumi@pharm.aun.edu.eg lourinmalak@aun.edu.eg iman.khallaf@pharm.aun.edu.eg farag_s@yahoo.com., Khallaf ISA; Pharmacognosy Department, Faculty of Pharmacy, Assiut University Assiut 71526 Egypt soad.bayoumi@pharm.aun.edu.eg lourinmalak@aun.edu.eg iman.khallaf@pharm.aun.edu.eg farag_s@yahoo.com., Bringmann G; Institute of Organic Chemistry, University of Würzburg Am Hubland 97074 Würzburg Germany bringman@chemie.uni-wuerzburg.de., Farag SF; Pharmacognosy Department, Faculty of Pharmacy, Assiut University Assiut 71526 Egypt soad.bayoumi@pharm.aun.edu.eg lourinmalak@aun.edu.eg iman.khallaf@pharm.aun.edu.eg farag_s@yahoo.com.; Pharmacognosy Department, College of Pharmacy, Taif University Taif Saudi Arabia.
Jazyk:	angličtina
Zdroj:	RSC advances [RSC Adv] 2021 May 07; Vol. 11 (28), pp. 16970-16979. Date of Electronic Publication: 2021 May 07 (Print Publication: 2021).
DOI:	10.1039/d1ra01989a
Abstrakt:	COVID-19 is a global pandemic first identified in China, causing severe acute respiratory syndrome. One of the therapeutic strategies for combating viral infections is the search for viral spike proteins as attachment inhibitors among natural compounds using molecular docking. This review aims at shedding light on the antiviral potential of natural products belonging to the natural-products class of coumarins up to 2020. Moreover, all these compounds were filtered based on ADME analysis to determine their physicochemical properties, and the best 74 compounds were selected. Using virtual-screening methods, the selected compounds were investigated for potential inhibition of viral main protease (Mpro), viral methyltransferase (nsp16/10 complex), viral recognition binding domain (RBD) of S-protein, and human angiotensin-converting enzyme 2 (ACE2), which is the human receptor for viral S-protein targets, using molecular-docking studies. Promising potential results against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) and methyltransferase (nsp16) are presented. Competing Interests: The authors declare no conflict of interest. (This journal is © The Royal Society of Chemistry.)
Databáze:	MEDLINE
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