Abstract
Background: The coronavirus disease 2019 (COVID-19) is a life-threatening viral infection caused by a positive-strand RNA virus belonging to the Coronaviridae family called severe acute respiratory distress syndrome coronavirus 2 (SARS-CoV-2). This virus has infected millions of peoples and caused hundreds of thousands of deaths around the world. Unfortunately, to date, there is no specific cure for SARS-CoV-2 infection, although researchers are working tirelessly to come up with a drug against this virus. Recently, the main viral protease has been discovered and is regarded as an appropriate target for antiviral agents in the search for the treatment of SARS-CoV-2 infection due to its role in polyproteins processing coronavirus replication.
Materials and Methods: This investigation (an in silico study) explores the effectiveness of 16 natural compounds from a literature survey against the protease of SARS-CoV-2 in an attempt to identify a promising antiviral agent through a molecular docking study. Results: Among the 16 compounds studied, apigenin, alpha-hederin, and asiatic acid exhibited significant docking performance and interacted with several amino acid residues of the main protease of SARS-CoV-2. Conclusion: In summary, apigenin, alpha-hederin, and asiatic acid protease inhibitors may be effective potential antiviral agents against the main viral protease (Mpro) to combat SARS-CoV-2.Keywords: SARS-CoV-2, COVID-19, protease inhibitors, natural products, in silico screening, apigenin.
[http://dx.doi.org/10.1016/S0140-6736(20)30183-5] [PMID: 31986264]
[http://dx.doi.org/10.1038/s41579-018-0118-9] [PMID: 30531947]
[http://dx.doi.org/10.3923/ajava.2014.164.176]
[http://dx.doi.org/10.1099/0022-1317-83-3-581] [PMID: 11842253]
[http://dx.doi.org/10.1126/science.1085658] [PMID: 12746549]
[PMID: 32373991]
[http://dx.doi.org/10.1007/s13337-015-0276-6] [PMID: 26645032]
[http://dx.doi.org/10.1111/bph.14943] [PMID: 31799702]
[http://dx.doi.org/10.21010/ajtcam.v13i6.20] [PMID: 28480371]
[http://dx.doi.org/10.3390/md13074520] [PMID: 26204947]
[http://dx.doi.org/10.3390/molecules22030505] [PMID: 28327521]
[http://dx.doi.org/10.3390/md12042019] [PMID: 24705500]
[http://dx.doi.org/10.1007/s00253-010-2578-3] [PMID: 20396881]
[http://dx.doi.org/10.1002/ptr.6575] [PMID: 31858645]
[http://dx.doi.org/10.1002/jsfa.7121] [PMID: 25652191]
[http://dx.doi.org/10.1016/S0140-6736(20)30154-9] [PMID: 31986261]
[http://dx.doi.org/10.1074/jbc.M310875200] [PMID: 14561748]
[http://dx.doi.org/10.1016/j.bbrc.2005.02.061] [PMID: 15752746]
[http://dx.doi.org/10.3390/v7122963] [PMID: 26694449]
[http://dx.doi.org/10.5812/archcid.13823]
[http://dx.doi.org/10.1016/j.bmcl.2013.09.070] [PMID: 24125888]
[http://dx.doi.org/10.1186/s12985-018-0945-3] [PMID: 29439720]
[http://dx.doi.org/10.1002/ptr.6700] [PMID: 32248575]
[http://dx.doi.org/10.1016/j.bmc.2010.09.035] [PMID: 20934345]
[http://dx.doi.org/10.1016/j.antiviral.2005.07.002] [PMID: 16115693]
[http://dx.doi.org/10.1021/jm070295s] [PMID: 17663539]
[http://dx.doi.org/10.1093/ecam/neh081] [PMID: 15937562]
[http://dx.doi.org/10.1016/j.bmcl.2012.04.081] [PMID: 22578462]
[http://dx.doi.org/10.1007/s00705-016-3061-y] [PMID: 27638776]
[http://dx.doi.org/10.1371/journal.pone.0131089] [PMID: 26098681]
[http://dx.doi.org/10.3390/molecules23061472] [PMID: 29912151]
[http://dx.doi.org/10.1016/j.antiviral.2017.03.014] [PMID: 28343845]
[http://dx.doi.org/10.1016/S0923-2516(97)86899-9] [PMID: 9561563]
[http://dx.doi.org/10.1248/bpb.32.1385] [PMID: 19652378]