The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase.
Identifieur interne : 000219 ( PubMed/Checkpoint ); précédent : 000218; suivant : 000220The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase.
Auteurs : Jrhau Lung [Taïwan] ; Yu-Shih Lin [Taïwan] ; Yao-Hsu Yang [Taïwan] ; Yu-Lun Chou [Taïwan] ; Li-Hsin Shu [Taïwan] ; Yu-Ching Cheng [Taïwan] ; Hung Te Liu [Taïwan] ; Ching-Yuan Wu [Taïwan]Source :
- Journal of medical virology [ 1096-9071 ] ; 2020.
Abstract
An outbreak of coronavirus disease 2019 (COVID-19) occurred in Wuhan and it has rapidly spread to almost all parts of the world. For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an important protease that catalyzes the replication of RNA from RNA template and is an attractive therapeutic target. In this study, we screened these chemical structures from traditional Chinese medicinal compounds proven to show antiviral activity in severe acute respiratory syndrome coronavirus (SARS-CoV) and the similar chemical structures through a molecular docking study to target RdRp of SARS-CoV-2, SARS-CoV, and Middle East respiratory syndrome coronavirus (MERS-CoV). We found that theaflavin has a lower idock score in the catalytic pocket of RdRp in SARS-CoV-2 (-9.11 kcal/mol), SARS-CoV (-8.03 kcal/mol), and MERS-CoV (-8.26 kcal/mol) from idock. To confirm the result, we discovered that theaflavin has lower binding energy of -8.8 kcal/mol when it docks in the catalytic pocket of SARS-CoV-2 RdRp by using the Blind Docking server. Regarding contact modes, hydrophobic interactions contribute significantly in binding and additional hydrogen bonds were found between theaflavin and RdRp. Moreover, one π-cation interaction was formed between theaflavin and Arg553 from the Blind Docking server. Our results suggest that theaflavin could be a potential SARS-CoV-2 RdRp inhibitor for further study.
DOI: 10.1002/jmv.25761
PubMed: 32167173
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xml:lang="fr">Taïwan</country><wicri:regionArea>Department of Pharmacy, Chiayi Chang Gung Memorial Hospital, Chiayi Branch, Putzu</wicri:regionArea><wicri:noRegion>Putzu</wicri:noRegion></affiliation></author><author><name sortKey="Yang, Yao Hsu" sort="Yang, Yao Hsu" uniqKey="Yang Y" first="Yao-Hsu" last="Yang">Yao-Hsu Yang</name><affiliation wicri:level="1"><nlm:affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</nlm:affiliation><country xml:lang="fr">Taïwan</country><wicri:regionArea>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu</wicri:regionArea><wicri:noRegion>Putzu</wicri:noRegion></affiliation></author><author><name sortKey="Chou, Yu Lun" sort="Chou, Yu Lun" uniqKey="Chou Y" first="Yu-Lun" last="Chou">Yu-Lun Chou</name><affiliation wicri:level="1"><nlm:affiliation>Department of Surgery, Kaohsiung Chang Gung Memorial Hospital, Kaohsiung, Taiwan.</nlm:affiliation><country xml:lang="fr">Taïwan</country><wicri:regionArea>Department of Surgery, Kaohsiung Chang Gung Memorial Hospital, Kaohsiung</wicri:regionArea><wicri:noRegion>Kaohsiung</wicri:noRegion></affiliation></author><author><name sortKey="Shu, Li Hsin" sort="Shu, Li Hsin" uniqKey="Shu L" first="Li-Hsin" last="Shu">Li-Hsin Shu</name><affiliation wicri:level="1"><nlm:affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</nlm:affiliation><country xml:lang="fr">Taïwan</country><wicri:regionArea>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu</wicri:regionArea><wicri:noRegion>Putzu</wicri:noRegion></affiliation></author><author><name sortKey="Cheng, Yu Ching" sort="Cheng, Yu Ching" uniqKey="Cheng Y" first="Yu-Ching" last="Cheng">Yu-Ching Cheng</name><affiliation wicri:level="1"><nlm:affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</nlm:affiliation><country xml:lang="fr">Taïwan</country><wicri:regionArea>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu</wicri:regionArea><wicri:noRegion>Putzu</wicri:noRegion></affiliation></author><author><name sortKey="Liu, Hung Te" sort="Liu, Hung Te" uniqKey="Liu H" first="Hung Te" last="Liu">Hung Te Liu</name><affiliation wicri:level="1"><nlm:affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</nlm:affiliation><country xml:lang="fr">Taïwan</country><wicri:regionArea>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu</wicri:regionArea><wicri:noRegion>Putzu</wicri:noRegion></affiliation></author><author><name sortKey="Wu, Ching Yuan" sort="Wu, Ching Yuan" uniqKey="Wu C" first="Ching-Yuan" last="Wu">Ching-Yuan Wu</name><affiliation wicri:level="1"><nlm:affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</nlm:affiliation><country xml:lang="fr">Taïwan</country><wicri:regionArea>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu</wicri:regionArea><wicri:noRegion>Putzu</wicri:noRegion></affiliation></author></analytic><series><title level="j">Journal of medical virology</title><idno type="eISSN">1096-9071</idno><imprint><date when="2020" type="published">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">An outbreak of coronavirus disease 2019 (COVID-19) occurred in Wuhan and it has rapidly spread to almost all parts of the world. For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an important protease that catalyzes the replication of RNA from RNA template and is an attractive therapeutic target. In this study, we screened these chemical structures from traditional Chinese medicinal compounds proven to show antiviral activity in severe acute respiratory syndrome coronavirus (SARS-CoV) and the similar chemical structures through a molecular docking study to target RdRp of SARS-CoV-2, SARS-CoV, and Middle East respiratory syndrome coronavirus (MERS-CoV). We found that theaflavin has a lower idock score in the catalytic pocket of RdRp in SARS-CoV-2 (-9.11 kcal/mol), SARS-CoV (-8.03 kcal/mol), and MERS-CoV (-8.26 kcal/mol) from idock. To confirm the result, we discovered that theaflavin has lower binding energy of -8.8 kcal/mol when it docks in the catalytic pocket of SARS-CoV-2 RdRp by using the Blind Docking server. Regarding contact modes, hydrophobic interactions contribute significantly in binding and additional hydrogen bonds were found between theaflavin and RdRp. Moreover, one π-cation interaction was formed between theaflavin and Arg553 from the Blind Docking server. Our results suggest that theaflavin could be a potential SARS-CoV-2 RdRp inhibitor for further study.</div></front></TEI><pubmed><MedlineCitation Status="Publisher" Owner="NLM"><PMID Version="1">32167173</PMID><DateRevised><Year>2020</Year><Month>03</Month><Day>18</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1096-9071</ISSN><JournalIssue CitedMedium="Internet"><PubDate><Year>2020</Year><Month>Mar</Month><Day>13</Day></PubDate></JournalIssue><Title>Journal of medical virology</Title><ISOAbbreviation>J. Med. Virol.</ISOAbbreviation></Journal><ArticleTitle>The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase.</ArticleTitle><ELocationID EIdType="doi" ValidYN="Y">10.1002/jmv.25761</ELocationID><Abstract><AbstractText>An outbreak of coronavirus disease 2019 (COVID-19) occurred in Wuhan and it has rapidly spread to almost all parts of the world. For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an important protease that catalyzes the replication of RNA from RNA template and is an attractive therapeutic target. In this study, we screened these chemical structures from traditional Chinese medicinal compounds proven to show antiviral activity in severe acute respiratory syndrome coronavirus (SARS-CoV) and the similar chemical structures through a molecular docking study to target RdRp of SARS-CoV-2, SARS-CoV, and Middle East respiratory syndrome coronavirus (MERS-CoV). We found that theaflavin has a lower idock score in the catalytic pocket of RdRp in SARS-CoV-2 (-9.11 kcal/mol), SARS-CoV (-8.03 kcal/mol), and MERS-CoV (-8.26 kcal/mol) from idock. To confirm the result, we discovered that theaflavin has lower binding energy of -8.8 kcal/mol when it docks in the catalytic pocket of SARS-CoV-2 RdRp by using the Blind Docking server. Regarding contact modes, hydrophobic interactions contribute significantly in binding and additional hydrogen bonds were found between theaflavin and RdRp. Moreover, one π-cation interaction was formed between theaflavin and Arg553 from the Blind Docking server. Our results suggest that theaflavin could be a potential SARS-CoV-2 RdRp inhibitor for further study.</AbstractText><CopyrightInformation>© 2020 Wiley Periodicals, Inc.</CopyrightInformation></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Lung</LastName><ForeName>Jrhau</ForeName><Initials>J</Initials><AffiliationInfo><Affiliation>Department of Research and Development, Chiayi Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Lin</LastName><ForeName>Yu-Shih</ForeName><Initials>YS</Initials><AffiliationInfo><Affiliation>Department of Pharmacy, Chiayi Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Yang</LastName><ForeName>Yao-Hsu</ForeName><Initials>YH</Initials><AffiliationInfo><Affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Health Information and Epidemiology Laboratory of Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>School of Chinese medicine, Chang Gung University, Taoyuan, Taiwan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Chou</LastName><ForeName>Yu-Lun</ForeName><Initials>YL</Initials><AffiliationInfo><Affiliation>Department of Surgery, Kaohsiung Chang Gung Memorial Hospital, Kaohsiung, Taiwan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Shu</LastName><ForeName>Li-Hsin</ForeName><Initials>LH</Initials><AffiliationInfo><Affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Cheng</LastName><ForeName>Yu-Ching</ForeName><Initials>YC</Initials><AffiliationInfo><Affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Liu</LastName><ForeName>Hung Te</ForeName><Initials>HT</Initials><AffiliationInfo><Affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Wu</LastName><ForeName>Ching-Yuan</ForeName><Initials>CY</Initials><Identifier Source="ORCID">http://orcid.org/0000-0001-6172-6647</Identifier><AffiliationInfo><Affiliation>Department of Traditional Chinese Medicine, Chang Gung Memorial Hospital, Chiayi Branch, Putzu, Taiwan.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>School of Chinese medicine, Chang Gung University, Taoyuan, Taiwan.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><GrantList CompleteYN="Y"><Grant><GrantID>CMRPG6H0162</GrantID><Agency>Chang Gung Memorial Hospital</Agency><Country></Country></Grant><Grant><GrantID>MOST 108-2320-B-182-021</GrantID><Agency>Ministry of Science and Technology</Agency><Country></Country></Grant></GrantList><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2020</Year><Month>03</Month><Day>13</Day></ArticleDate></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>J Med Virol</MedlineTA><NlmUniqueID>7705876</NlmUniqueID><ISSNLinking>0146-6615</ISSNLinking></MedlineJournalInfo><CitationSubset>IM</CitationSubset><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">RNA-dependent RNA polymerase</Keyword><Keyword MajorTopicYN="N">SARS-CoV-2</Keyword><Keyword MajorTopicYN="N">theaflavin</Keyword><Keyword MajorTopicYN="N">traditional Chinese medicinal compounds</Keyword></KeywordList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2020</Year><Month>03</Month><Day>04</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2020</Year><Month>03</Month><Day>10</Day></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2020</Year><Month>3</Month><Day>14</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2020</Year><Month>3</Month><Day>14</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2020</Year><Month>3</Month><Day>14</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>aheadofprint</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">32167173</ArticleId><ArticleId IdType="doi">10.1002/jmv.25761</ArticleId></ArticleIdList><ReferenceList><Title>REFERENCES</Title><Reference><Citation>Dey SK, Rahman MM, Siddiqi UR, Howlader A. Analyzing the epidemiological outbreak of COVID-19: a visual exploratory data analysis (EDA) approach. J Med Virol. 2020. https://doi.org/10.1002/jmv.25743</Citation></Reference><Reference><Citation>Liu W, Morse JS, Lalonde T, Xu S. Learning from the past: possible urgent prevention and treatment options for severe acute respiratory infections caused by 2019-nCoV. ChemBioChem. 2020;21:730-738.</Citation></Reference><Reference><Citation>Zhang L, Liu Y. Potential interventions for novel coronavirus in China: a systematic review. J Med Virol. 2020. https://doi.org/10.1002/jmv.25707</Citation></Reference><Reference><Citation>Gordon CJ, Tchesnokov EP, Feng JY, Porter DP, Gotte M. The antiviral compound remdesivir potently inhibits RNA-dependent RNA polymerase from Middle East respiratory syndrome coronavirus. J Biol Chem. 2020:pii: jbc.AC120.013056. https://doi.org/10.1074/jbc.AC120.013056</Citation></Reference><Reference><Citation>Tchesnokov EP, Feng JY, Porter DP, Gotte M. Mechanism of inhibition of Ebola virus RNA-dependent RNA polymerase by remdesivir. Viruses. 2019;11(4):E326.</Citation></Reference><Reference><Citation>Holshue ML, DeBolt C, Lindquist S, et al. First case of 2019 novel coronavirus in the United States. N Engl J Med. 2020;382:929-936.</Citation></Reference><Reference><Citation>Eswar N, Eramian D, Webb B, Shen MY, Sali A. Protein structure modeling with MODELLER. Methods Mol Biol. 2008;426:145-159.</Citation></Reference><Reference><Citation>Pettersen EF, Goddard TD, Huang CC, et al. UCSF Chimera-a visualization system for exploratory research and analysis. J Comput Chem. 2004;25(13):1605-1612.</Citation></Reference><Reference><Citation>Waterhouse A, Bertoni M, Bienert S, et al. SWISS-MODEL: homology modelling of protein structures and complexes. Nucleic Acids Res. 2018;46(W1):W296-W303.</Citation></Reference><Reference><Citation>Zhang MM, Liu XM, He L. Effect of integrated traditional Chinese and Western medicine on SARS: a review of clinical evidence. World J Gastroenterol. 2004;10(23):3500-3505.</Citation></Reference><Reference><Citation>Cinatl J, Morgenstern B, Bauer G, Chandra P, Rabenau H, Doerr HW. Glycyrrhizin, an active component of liquorice roots, and replication of SARS-associated coronavirus. Lancet. 2003;361(9374):2045-2046.</Citation></Reference><Reference><Citation>Ryu YB, Jeong HJ, Kim JH, et al. Biflavonoids from Torreya nucifera displaying SARS-CoV 3CL(pro) inhibition. Bioorg Med Chem. 2010;18(22):7940-7947.</Citation></Reference><Reference><Citation>Park JY, Kim JH, Kim YM, et al. Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases. Bioorg Med Chem. 2012;20(19):5928-5935.</Citation></Reference><Reference><Citation>Yi L, Li Z, Yuan K, et al. Small molecules blocking the entry of severe acute respiratory syndrome coronavirus into host cells. J Virol. 2004;78(20):11334-11339.</Citation></Reference><Reference><Citation>Yang ZF, Bai LP, Huang W, et al. Comparison of in vitro antiviral activity of tea polyphenols against influenza A and B viruses and structure-activity relationship analysis. Fitoterapia. 2014;93:47-53.</Citation></Reference><Reference><Citation>Chowdhury P, Sahuc ME, Rouillé Y, et al. Theaflavins, polyphenols of black tea, inhibit entry of hepatitis C virus in cell culture. PLoS One. 2018;13(11):e0198226.</Citation></Reference><Reference><Citation>Chen CN, Lin CPC, Huang KK, et al. Inhibition of SARS-CoV 3C-like protease activity by theaflavin-3,3′-digallate (TF3). Evid Based Complement Alternat Med. 2005;2(2):209-215.</Citation></Reference></ReferenceList></PubmedData></pubmed><affiliations><list><country><li>Taïwan</li></country></list><tree><country name="Taïwan"><noRegion><name sortKey="Lung, Jrhau" sort="Lung, Jrhau" uniqKey="Lung J" first="Jrhau" last="Lung">Jrhau Lung</name></noRegion><name sortKey="Cheng, Yu Ching" sort="Cheng, Yu Ching" uniqKey="Cheng Y" first="Yu-Ching" last="Cheng">Yu-Ching Cheng</name><name sortKey="Chou, Yu Lun" sort="Chou, Yu Lun" uniqKey="Chou Y" first="Yu-Lun" last="Chou">Yu-Lun Chou</name><name sortKey="Lin, Yu Shih" sort="Lin, Yu Shih" uniqKey="Lin Y" first="Yu-Shih" last="Lin">Yu-Shih Lin</name><name sortKey="Liu, Hung Te" sort="Liu, Hung Te" uniqKey="Liu H" first="Hung Te" last="Liu">Hung Te Liu</name><name sortKey="Shu, Li Hsin" sort="Shu, Li Hsin" uniqKey="Shu L" first="Li-Hsin" last="Shu">Li-Hsin Shu</name><name sortKey="Wu, Ching Yuan" sort="Wu, Ching Yuan" uniqKey="Wu C" first="Ching-Yuan" last="Wu">Ching-Yuan Wu</name><name sortKey="Yang, Yao Hsu" sort="Yang, Yao Hsu" uniqKey="Yang Y" first="Yao-Hsu" last="Yang">Yao-Hsu Yang</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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