Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
Identifieur interne : 000997 ( 2020/Analysis ); précédent : 000996; suivant : 000998Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
Auteurs : Canrong Wu [République populaire de Chine] ; Yang Liu [République populaire de Chine] ; Yueying Yang [République populaire de Chine] ; Peng Zhang [République populaire de Chine] ; Wu Zhong [République populaire de Chine] ; Yali Wang [République populaire de Chine] ; Qiqi Wang [République populaire de Chine] ; Yang Xu [République populaire de Chine] ; Mingxue Li [République populaire de Chine] ; Xingzhou Li [République populaire de Chine] ; Mengzhu Zheng [République populaire de Chine] ; Lixia Chen [République populaire de Chine] ; Hua Li [République populaire de Chine]Source :
- Acta Pharmaceutica Sinica. B [ 2211-3835 ] ; 2020.
Abstract
SARS-CoV-2 has caused tens of thousands of infections and more than one thousand deaths. There are currently no registered therapies for treating coronavirus infections. Because of time consuming process of new drug development, drug repositioning may be the only solution to the epidemic of sudden infectious diseases. We systematically analyzed all the proteins encoded by SARS-CoV-2 genes, compared them with proteins from other coronaviruses, predicted their structures, and built 19 structures that could be done by homology modeling. By performing target-based virtual ligand screening, a total of 21 targets (including two human targets) were screened against compound libraries including ZINC drug database and our own database of natural products. Structure and screening results of important targets such as 3-chymotrypsin-like protease (3CLpro), Spike, RNA-dependent RNA polymerase (RdRp), and papain like protease (PLpro) were discussed in detail. In addition, a database of 78 commonly used anti-viral drugs including those currently on the market and undergoing clinical trials for SARS-CoV-2 was constructed. Possible targets of these compounds and potential drugs acting on a certain target were predicted. This study will provide new lead compounds and targets for further
Url:
DOI: 10.1016/j.apsb.2020.02.008
PubMed: 32292689
PubMed Central: 7102550
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream Pmc, to step Corpus: 000D52
- to stream Pmc, to step Curation: 000D52
- to stream Pmc, to step Checkpoint: 000394
- to stream Ncbi, to step Merge: 003A57
- to stream Ncbi, to step Curation: 003A57
- to stream Ncbi, to step Checkpoint: 003A57
- to stream Main, to step Merge: 000997
- to stream Main, to step Curation: 000997
- to stream Main, to step Exploration: 000997
- to stream 2020, to step Extraction: 000997
Links to Exploration step
PMC:7102550Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods</title><author><name sortKey="Wu, Canrong" sort="Wu, Canrong" uniqKey="Wu C" first="Canrong" last="Wu">Canrong Wu</name><affiliation wicri:level="1"><nlm:aff id="aff1">Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030</wicri:regionArea><placeName><settlement type="city">Wuhan</settlement><region type="région">Hubei</region></placeName></affiliation></author><author><name sortKey="Liu, Yang" sort="Liu, Yang" uniqKey="Liu Y" first="Yang" last="Liu">Yang Liu</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Yang, Yueying" sort="Yang, Yueying" uniqKey="Yang Y" first="Yueying" last="Yang">Yueying Yang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Zhang, Peng" sort="Zhang, Peng" uniqKey="Zhang P" first="Peng" last="Zhang">Peng Zhang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Zhong, Wu" sort="Zhong, Wu" uniqKey="Zhong W" first="Wu" last="Zhong">Wu Zhong</name><affiliation wicri:level="1"><nlm:aff id="aff3">National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName></affiliation></author><author><name sortKey="Wang, Yali" sort="Wang, Yali" uniqKey="Wang Y" first="Yali" last="Wang">Yali Wang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Wang, Qiqi" sort="Wang, Qiqi" uniqKey="Wang Q" first="Qiqi" last="Wang">Qiqi Wang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Xu, Yang" sort="Xu, Yang" uniqKey="Xu Y" first="Yang" last="Xu">Yang Xu</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Li, Mingxue" sort="Li, Mingxue" uniqKey="Li M" first="Mingxue" last="Li">Mingxue Li</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Li, Xingzhou" sort="Li, Xingzhou" uniqKey="Li X" first="Xingzhou" last="Li">Xingzhou Li</name><affiliation wicri:level="1"><nlm:aff id="aff3">National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName></affiliation></author><author><name sortKey="Zheng, Mengzhu" sort="Zheng, Mengzhu" uniqKey="Zheng M" first="Mengzhu" last="Zheng">Mengzhu Zheng</name><affiliation wicri:level="1"><nlm:aff id="aff1">Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030</wicri:regionArea><placeName><settlement type="city">Wuhan</settlement><region type="région">Hubei</region></placeName></affiliation></author><author><name sortKey="Chen, Lixia" sort="Chen, Lixia" uniqKey="Chen L" first="Lixia" last="Chen">Lixia Chen</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Li, Hua" sort="Li, Hua" uniqKey="Li H" first="Hua" last="Li">Hua Li</name><affiliation wicri:level="1"><nlm:aff id="aff1">Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030</wicri:regionArea><placeName><settlement type="city">Wuhan</settlement><region type="région">Hubei</region></placeName></affiliation><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">32292689</idno><idno type="pmc">7102550</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7102550</idno><idno type="RBID">PMC:7102550</idno><idno type="doi">10.1016/j.apsb.2020.02.008</idno><date when="2020">2020</date><idno type="wicri:Area/Pmc/Corpus">000D52</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000D52</idno><idno type="wicri:Area/Pmc/Curation">000D52</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000D52</idno><idno type="wicri:Area/Pmc/Checkpoint">000394</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">000394</idno><idno type="wicri:Area/Ncbi/Merge">003A57</idno><idno type="wicri:Area/Ncbi/Curation">003A57</idno><idno type="wicri:Area/Ncbi/Checkpoint">003A57</idno><idno type="wicri:doubleKey">2211-3835:2020:Wu C:analysis:of:therapeutic</idno><idno type="wicri:Area/Main/Merge">000997</idno><idno type="wicri:Area/Main/Curation">000997</idno><idno type="wicri:Area/Main/Exploration">000997</idno><idno type="wicri:Area/2020/Extraction">000997</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods</title><author><name sortKey="Wu, Canrong" sort="Wu, Canrong" uniqKey="Wu C" first="Canrong" last="Wu">Canrong Wu</name><affiliation wicri:level="1"><nlm:aff id="aff1">Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030</wicri:regionArea><placeName><settlement type="city">Wuhan</settlement><region type="région">Hubei</region></placeName></affiliation></author><author><name sortKey="Liu, Yang" sort="Liu, Yang" uniqKey="Liu Y" first="Yang" last="Liu">Yang Liu</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Yang, Yueying" sort="Yang, Yueying" uniqKey="Yang Y" first="Yueying" last="Yang">Yueying Yang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Zhang, Peng" sort="Zhang, Peng" uniqKey="Zhang P" first="Peng" last="Zhang">Peng Zhang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Zhong, Wu" sort="Zhong, Wu" uniqKey="Zhong W" first="Wu" last="Zhong">Wu Zhong</name><affiliation wicri:level="1"><nlm:aff id="aff3">National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName></affiliation></author><author><name sortKey="Wang, Yali" sort="Wang, Yali" uniqKey="Wang Y" first="Yali" last="Wang">Yali Wang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Wang, Qiqi" sort="Wang, Qiqi" uniqKey="Wang Q" first="Qiqi" last="Wang">Qiqi Wang</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Xu, Yang" sort="Xu, Yang" uniqKey="Xu Y" first="Yang" last="Xu">Yang Xu</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Li, Mingxue" sort="Li, Mingxue" uniqKey="Li M" first="Mingxue" last="Li">Mingxue Li</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Li, Xingzhou" sort="Li, Xingzhou" uniqKey="Li X" first="Xingzhou" last="Li">Xingzhou Li</name><affiliation wicri:level="1"><nlm:aff id="aff3">National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>National Engineering Research Center for the Emergency Drug, Beijing Institute of Pharmacology and Toxicology, Beijing 100850</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName></affiliation></author><author><name sortKey="Zheng, Mengzhu" sort="Zheng, Mengzhu" uniqKey="Zheng M" first="Mengzhu" last="Zheng">Mengzhu Zheng</name><affiliation wicri:level="1"><nlm:aff id="aff1">Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030</wicri:regionArea><placeName><settlement type="city">Wuhan</settlement><region type="région">Hubei</region></placeName></affiliation></author><author><name sortKey="Chen, Lixia" sort="Chen, Lixia" uniqKey="Chen L" first="Lixia" last="Chen">Lixia Chen</name><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author><author><name sortKey="Li, Hua" sort="Li, Hua" uniqKey="Li H" first="Hua" last="Li">Hua Li</name><affiliation wicri:level="1"><nlm:aff id="aff1">Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030</wicri:regionArea><placeName><settlement type="city">Wuhan</settlement><region type="région">Hubei</region></placeName></affiliation><affiliation wicri:level="1"><nlm:aff id="aff2">Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016</wicri:regionArea><wicri:noRegion>Shenyang 110016</wicri:noRegion></affiliation></author></analytic><series><title level="j">Acta Pharmaceutica Sinica. B</title><idno type="ISSN">2211-3835</idno><idno type="eISSN">2211-3843</idno><imprint><date when="2020">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>SARS-CoV-2 has caused tens of thousands of infections and more than one thousand deaths. There are currently no registered therapies for treating coronavirus infections. Because of time consuming process of new drug development, drug repositioning may be the only solution to the epidemic of sudden infectious diseases. We systematically analyzed all the proteins encoded by SARS-CoV-2 genes, compared them with proteins from other coronaviruses, predicted their structures, and built 19 structures that could be done by homology modeling. By performing target-based virtual ligand screening, a total of 21 targets (including two human targets) were screened against compound libraries including ZINC drug database and our own database of natural products. Structure and screening results of important targets such as 3-chymotrypsin-like protease (3CLpro), Spike, RNA-dependent RNA polymerase (RdRp), and papain like protease (PLpro) were discussed in detail. In addition, a database of 78 commonly used anti-viral drugs including those currently on the market and undergoing clinical trials for SARS-CoV-2 was constructed. Possible targets of these compounds and potential drugs acting on a certain target were predicted. This study will provide new lead compounds and targets for further <italic>in vitro</italic> and <italic>in vivo</italic> studies of SARS-CoV-2, new insights for those drugs currently ongoing clinical studies, and also possible new strategies for drug repositioning to treat SARS-CoV-2 infections.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Cheng, V C" uniqKey="Cheng V">V.C. Cheng</name></author><author><name sortKey="Lau, S K" uniqKey="Lau S">S.K. Lau</name></author><author><name sortKey="Woo, P C" uniqKey="Woo P">P.C. Woo</name></author><author><name sortKey="Yuen, K Y" uniqKey="Yuen K">K.Y. Yuen</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Lee, N" uniqKey="Lee N">N. Lee</name></author><author><name sortKey="Hui, D" uniqKey="Hui D">D. Hui</name></author><author><name sortKey="Wu, A" uniqKey="Wu A">A. Wu</name></author><author><name sortKey="Chan, P" uniqKey="Chan P">P. Chan</name></author><author><name sortKey="Cameron, P" uniqKey="Cameron P">P. Cameron</name></author><author><name sortKey="Joynt, G M" uniqKey="Joynt G">G.M. Joynt</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Zaki, A M" uniqKey="Zaki A">A.M. Zaki</name></author><author><name sortKey="Van Boheemen, S" uniqKey="Van Boheemen S">S. van Boheemen</name></author><author><name sortKey="Bestebroer, T M" uniqKey="Bestebroer T">T.M. Bestebroer</name></author><author><name sortKey="Osterhaus, A D" uniqKey="Osterhaus A">A.D. Osterhaus</name></author><author><name sortKey="Fouchier, R A" uniqKey="Fouchier R">R.A. Fouchier</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="De Groot, R J" uniqKey="De Groot R">R.J. de Groot</name></author><author><name sortKey="Baker, S C" uniqKey="Baker S">S.C. Baker</name></author><author><name sortKey="Baric, R S" uniqKey="Baric R">R.S. Baric</name></author><author><name sortKey="Brown, C S" uniqKey="Brown C">C.S. Brown</name></author><author><name sortKey="Drosten, C" uniqKey="Drosten C">C. Drosten</name></author><author><name sortKey="Enjuanes, L" uniqKey="Enjuanes L">L. Enjuanes</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Lau, S K" uniqKey="Lau S">S.K. Lau</name></author><author><name sortKey="Woo, P C" uniqKey="Woo P">P.C. Woo</name></author><author><name sortKey="Li, K S" uniqKey="Li K">K.S. Li</name></author><author><name sortKey="Huang, Y" uniqKey="Huang Y">Y. Huang</name></author><author><name sortKey="Tsoi, H W" uniqKey="Tsoi H">H.W. Tsoi</name></author><author><name sortKey="Wong, B H" uniqKey="Wong B">B.H. Wong</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Reusken, C B" uniqKey="Reusken C">C.B. Reusken</name></author><author><name sortKey="Haagmans, B L" uniqKey="Haagmans B">B.L. Haagmans</name></author><author><name sortKey="Muller, M A" uniqKey="Muller M">M.A. Müller</name></author><author><name sortKey="Gutierrez, C" uniqKey="Gutierrez C">C. Gutierrez</name></author><author><name sortKey="Godeke, G J" uniqKey="Godeke G">G.J. Godeke</name></author><author><name sortKey="Meyer, B" uniqKey="Meyer B">B. Meyer</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Zhu, N" uniqKey="Zhu N">N. Zhu</name></author><author><name sortKey="Zhang, D" uniqKey="Zhang D">D. Zhang</name></author><author><name sortKey="Wang, W" uniqKey="Wang W">W. Wang</name></author><author><name sortKey="Li, X" uniqKey="Li X">X. Li</name></author><author><name sortKey="Yang, B" uniqKey="Yang B">B. Yang</name></author><author><name sortKey="Song, J" uniqKey="Song J">J. Song</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Chen, Y" uniqKey="Chen Y">Y. Chen</name></author><author><name sortKey="Liu, Q" uniqKey="Liu Q">Q. Liu</name></author><author><name sortKey="Guo, D" uniqKey="Guo D">D. Guo</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Huang, C" uniqKey="Huang C">C. Huang</name></author><author><name sortKey="Wang, Y" uniqKey="Wang Y">Y. Wang</name></author><author><name sortKey="Li, X" uniqKey="Li X">X. Li</name></author><author><name sortKey="Ren, L" uniqKey="Ren L">L. Ren</name></author><author><name sortKey="Zhao, J" uniqKey="Zhao J">J. Zhao</name></author><author><name sortKey="Hu, Y" uniqKey="Hu Y">Y. Hu</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Bosch, B J" uniqKey="Bosch B">B.J. Bosch</name></author><author><name sortKey="Van Der Zee, R" uniqKey="Van Der Zee R">R. van der Zee</name></author><author><name sortKey="De Haan, C A" uniqKey="De Haan C">C.A. de Haan</name></author><author><name sortKey="Rottier, P J" uniqKey="Rottier P">P.J. Rottier</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Omrani, A S" uniqKey="Omrani A">A.S. Omrani</name></author><author><name sortKey="Saad, M M" uniqKey="Saad M">M.M. Saad</name></author><author><name sortKey="Baig, K" uniqKey="Baig K">K. Baig</name></author><author><name sortKey="Bahloul, A" uniqKey="Bahloul A">A. Bahloul</name></author><author><name sortKey="Abdul Matin, M" uniqKey="Abdul Matin M">M. Abdul-Matin</name></author><author><name sortKey="Alaidaroos, A Y" uniqKey="Alaidaroos A">A.Y. Alaidaroos</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Ge, X Y" uniqKey="Ge X">X.Y. Ge</name></author><author><name sortKey="Li, J L" uniqKey="Li J">J.L. Li</name></author><author><name sortKey="Yang, X L" uniqKey="Yang X">X.L. Yang</name></author><author><name sortKey="Chmura, A A" uniqKey="Chmura A">A.A. Chmura</name></author><author><name sortKey="Zhu, G" uniqKey="Zhu G">G. Zhu</name></author><author><name sortKey="Epstein, J H" uniqKey="Epstein J">J.H. Epstein</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Han, D P" uniqKey="Han D">D.P. Han</name></author><author><name sortKey="Penn Nicholson, A" uniqKey="Penn Nicholson A">A. Penn-Nicholson</name></author><author><name sortKey="Cho, M W" uniqKey="Cho M">M.W. Cho</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Li, W" uniqKey="Li W">W. Li</name></author><author><name sortKey="Moore, M J" uniqKey="Moore M">M.J. Moore</name></author><author><name sortKey="Vasilieva, N" uniqKey="Vasilieva N">N. Vasilieva</name></author><author><name sortKey="Sui, J" uniqKey="Sui J">J. Sui</name></author><author><name sortKey="Wong, S K" uniqKey="Wong S">S.K. Wong</name></author><author><name sortKey="Berne, M A" uniqKey="Berne M">M.A. Berne</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Zhao, J" uniqKey="Zhao J">J. Zhao</name></author><author><name sortKey="Li, K" uniqKey="Li K">K. Li</name></author><author><name sortKey="Wohlford Lenane, C" uniqKey="Wohlford Lenane C">C. Wohlford-Lenane</name></author><author><name sortKey="Agnihothram, S S" uniqKey="Agnihothram S">S.S. Agnihothram</name></author><author><name sortKey="Fett, C" uniqKey="Fett C">C. Fett</name></author><author><name sortKey="Zhao, J" uniqKey="Zhao J">J. Zhao</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Agrawal, A S" uniqKey="Agrawal A">A.S. Agrawal</name></author><author><name sortKey="Garron, T" uniqKey="Garron T">T. Garron</name></author><author><name sortKey="Tao, X" uniqKey="Tao X">X. Tao</name></author><author><name sortKey="Peng, B H" uniqKey="Peng B">B.H. Peng</name></author><author><name sortKey="Wakamiya, M" uniqKey="Wakamiya M">M. Wakamiya</name></author><author><name sortKey="Chan, T S" uniqKey="Chan T">T.S. Chan</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Zumla, A" uniqKey="Zumla A">A. Zumla</name></author><author><name sortKey="Chan, J F" uniqKey="Chan J">J.F. Chan</name></author><author><name sortKey="Azhar, E I" uniqKey="Azhar E">E.I. Azhar</name></author><author><name sortKey="Hui, D S" uniqKey="Hui D">D.S. Hui</name></author><author><name sortKey="Yuen, K Y" uniqKey="Yuen K">K.Y. Yuen</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Chan, J F" uniqKey="Chan J">J.F. Chan</name></author><author><name sortKey="Chan, K H" uniqKey="Chan K">K.H. Chan</name></author><author><name sortKey="Kao, R Y" uniqKey="Kao R">R.Y. Kao</name></author><author><name sortKey="To, K K" uniqKey="To K">K.K. To</name></author><author><name sortKey="Zheng, B J" uniqKey="Zheng B">B.J. Zheng</name></author><author><name sortKey="Li, C P" uniqKey="Li C">C.P. Li</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="De Wilde, A H" uniqKey="De Wilde A">A.H. de Wilde</name></author><author><name sortKey="Jochmans, D" uniqKey="Jochmans D">D. Jochmans</name></author><author><name sortKey="Posthuma, C C" uniqKey="Posthuma C">C.C. Posthuma</name></author><author><name sortKey="Zevenhoven Dobbe, J C" uniqKey="Zevenhoven Dobbe J">J.C. Zevenhoven-Dobbe</name></author><author><name sortKey="Van Nieuwkoop, S" uniqKey="Van Nieuwkoop S">S. van Nieuwkoop</name></author><author><name sortKey="Bestebroer, T M" uniqKey="Bestebroer T">T.M. Bestebroer</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Dyall, J" uniqKey="Dyall J">J. Dyall</name></author><author><name sortKey="Coleman, C M" uniqKey="Coleman C">C.M. Coleman</name></author><author><name sortKey="Hart, B J" uniqKey="Hart B">B.J. Hart</name></author><author><name sortKey="Venkataraman, T" uniqKey="Venkataraman T">T. Venkataraman</name></author><author><name sortKey="Holbrook, M R" uniqKey="Holbrook M">M.R. Holbrook</name></author><author><name sortKey="Kindrachuk, J" uniqKey="Kindrachuk J">J. Kindrachuk</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Jaroszewski, L" uniqKey="Jaroszewski L">L. Jaroszewski</name></author><author><name sortKey="Rychlewski, L" uniqKey="Rychlewski L">L. Rychlewski</name></author><author><name sortKey="Li, Z" uniqKey="Li Z">Z. Li</name></author><author><name sortKey="Li, W" uniqKey="Li W">W. Li</name></author><author><name sortKey="Godzik, A" uniqKey="Godzik A">A. Godzik</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Irwin, J J" uniqKey="Irwin J">J.J. Irwin</name></author><author><name sortKey="Sterling, T" uniqKey="Sterling T">T. Sterling</name></author><author><name sortKey="Mysinger, M M" uniqKey="Mysinger M">M.M. Mysinger</name></author><author><name sortKey="Bolstad, E S" uniqKey="Bolstad E">E.S. Bolstad</name></author><author><name sortKey="Coleman, R G" uniqKey="Coleman R">R.G. Coleman</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Abagyan, R" uniqKey="Abagyan R">R. Abagyan</name></author><author><name sortKey="Totrov, M" uniqKey="Totrov M">M. Totrov</name></author><author><name sortKey="Kuznetsov, D" uniqKey="Kuznetsov D">D. Kuznetsov</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Wan, Y" uniqKey="Wan Y">Y. Wan</name></author><author><name sortKey="Shang, J" uniqKey="Shang J">J. Shang</name></author><author><name sortKey="Graham, R" uniqKey="Graham R">R. Graham</name></author><author><name sortKey="Baric, R S" uniqKey="Baric R">R.S. Baric</name></author><author><name sortKey="Li, F" uniqKey="Li F">F. Li</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Xu, X" uniqKey="Xu X">X. Xu</name></author><author><name sortKey="Chen, P" uniqKey="Chen P">P. Chen</name></author><author><name sortKey="Wang, J" uniqKey="Wang J">J. Wang</name></author><author><name sortKey="Feng, J" uniqKey="Feng J">J. Feng</name></author><author><name sortKey="Zhou, H" uniqKey="Zhou H">H. Zhou</name></author><author><name sortKey="Li, X" uniqKey="Li X">X. Li</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Li, F" uniqKey="Li F">F. Li</name></author><author><name sortKey="Li, W" uniqKey="Li W">W. Li</name></author><author><name sortKey="Farzan, M" uniqKey="Farzan M">M. Farzan</name></author><author><name sortKey="Harrison, S C" uniqKey="Harrison S">S.C. Harrison</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Harcourt, B H" uniqKey="Harcourt B">B.H. Harcourt</name></author><author><name sortKey="Jukneliene, D" uniqKey="Jukneliene D">D. Jukneliene</name></author><author><name sortKey="Kanjanahaluethai, A" uniqKey="Kanjanahaluethai A">A. Kanjanahaluethai</name></author><author><name sortKey="Bechill, J" uniqKey="Bechill J">J. Bechill</name></author><author><name sortKey="Severson, K M" uniqKey="Severson K">K.M. Severson</name></author><author><name sortKey="Smith, C M" uniqKey="Smith C">C.M. Smith</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Chen, X" uniqKey="Chen X">X. Chen</name></author><author><name sortKey="Yang, X" uniqKey="Yang X">X. Yang</name></author><author><name sortKey="Zheng, Y" uniqKey="Zheng Y">Y. Zheng</name></author><author><name sortKey="Yang, Y" uniqKey="Yang Y">Y. Yang</name></author><author><name sortKey="Xing, Y" uniqKey="Xing Y">Y. Xing</name></author><author><name sortKey="Chen, Z" uniqKey="Chen Z">Z. Chen</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Yuan, L" uniqKey="Yuan L">L. Yuan</name></author><author><name sortKey="Chen, Z" uniqKey="Chen Z">Z. Chen</name></author><author><name sortKey="Song, S" uniqKey="Song S">S. Song</name></author><author><name sortKey="Wang, S" uniqKey="Wang S">S. Wang</name></author><author><name sortKey="Tian, C" uniqKey="Tian C">C. Tian</name></author><author><name sortKey="Xing, G" uniqKey="Xing G">G. Xing</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Li, S W" uniqKey="Li S">S.W. Li</name></author><author><name sortKey="Wang, C Y" uniqKey="Wang C">C.Y. Wang</name></author><author><name sortKey="Jou, Y J" uniqKey="Jou Y">Y.J. Jou</name></author><author><name sortKey="Huang, S H" uniqKey="Huang S">S.H. Huang</name></author><author><name sortKey="Hsiao, L H" uniqKey="Hsiao L">L.H. Hsiao</name></author><author><name sortKey="Wan, L" uniqKey="Wan L">L. Wan</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Yang, H" uniqKey="Yang H">H. Yang</name></author><author><name sortKey="Xie, W" uniqKey="Xie W">W. Xie</name></author><author><name sortKey="Xue, X" uniqKey="Xue X">X. Xue</name></author><author><name sortKey="Yang, K" uniqKey="Yang K">K. Yang</name></author><author><name sortKey="Ma, J" uniqKey="Ma J">J. Ma</name></author><author><name sortKey="Liang, W" uniqKey="Liang W">W. Liang</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Pillaiyar, T" uniqKey="Pillaiyar T">T. Pillaiyar</name></author><author><name sortKey="Manickam, M" uniqKey="Manickam M">M. Manickam</name></author><author><name sortKey="Namasivayam, V" uniqKey="Namasivayam V">V. Namasivayam</name></author><author><name sortKey="Hayashi, Y" uniqKey="Hayashi Y">Y. Hayashi</name></author><author><name sortKey="Jung, S H" uniqKey="Jung S">S.H. Jung</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Yang, H" uniqKey="Yang H">H. Yang</name></author><author><name sortKey="Yang, M" uniqKey="Yang M">M. Yang</name></author><author><name sortKey="Ding, Y" uniqKey="Ding Y">Y. Ding</name></author><author><name sortKey="Liu, Y" uniqKey="Liu Y">Y. Liu</name></author><author><name sortKey="Lou, Z" uniqKey="Lou Z">Z. Lou</name></author><author><name sortKey="Zhou, Z" uniqKey="Zhou Z">Z. Zhou</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Subissi, L" uniqKey="Subissi L">L. Subissi</name></author><author><name sortKey="Imbert, I" uniqKey="Imbert I">I. Imbert</name></author><author><name sortKey="Ferron, F" uniqKey="Ferron F">F. Ferron</name></author><author><name sortKey="Collet, A" uniqKey="Collet A">A. Collet</name></author><author><name sortKey="Coutard, B" uniqKey="Coutard B">B. Coutard</name></author><author><name sortKey="Decroly, E" uniqKey="Decroly E">E. Decroly</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Imbert, I" uniqKey="Imbert I">I. Imbert</name></author><author><name sortKey="Guillemot, J C" uniqKey="Guillemot J">J.C. Guillemot</name></author><author><name sortKey="Bourhis, J M" uniqKey="Bourhis J">J.M. Bourhis</name></author><author><name sortKey="Bussetta, C" uniqKey="Bussetta C">C. Bussetta</name></author><author><name sortKey="Coutard, B" uniqKey="Coutard B">B. Coutard</name></author><author><name sortKey="Egloff, M P" uniqKey="Egloff M">M.P. Egloff</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Chu, C K" uniqKey="Chu C">C.K. Chu</name></author><author><name sortKey="Gadthula, S" uniqKey="Gadthula S">S. Gadthula</name></author><author><name sortKey="Chen, X" uniqKey="Chen X">X. Chen</name></author><author><name sortKey="Choo, H" uniqKey="Choo H">H. Choo</name></author><author><name sortKey="Olgen, S" uniqKey="Olgen S">S. Olgen</name></author><author><name sortKey="Barnard, D L" uniqKey="Barnard D">D.L. Barnard</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Ivanov, K A" uniqKey="Ivanov K">K.A. Ivanov</name></author><author><name sortKey="Ziebuhr, J" uniqKey="Ziebuhr J">J. Ziebuhr</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Shum, K T" uniqKey="Shum K">K.T. Shum</name></author><author><name sortKey="Tanner, J A" uniqKey="Tanner J">J.A. Tanner</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Jang, K J" uniqKey="Jang K">K.J. Jang</name></author><author><name sortKey="Lee, N R" uniqKey="Lee N">N.R. Lee</name></author><author><name sortKey="Yeo, W S" uniqKey="Yeo W">W.S. Yeo</name></author><author><name sortKey="Jeong, Y J" uniqKey="Jeong Y">Y.J. Jeong</name></author><author><name sortKey="Kim, D E" uniqKey="Kim D">D.E. Kim</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Millet, J K" uniqKey="Millet J">J.K. Millet</name></author><author><name sortKey="Whittaker, G R" uniqKey="Whittaker G">G.R. Whittaker</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Xia, S" uniqKey="Xia S">S. Xia</name></author><author><name sortKey="Liu, Q" uniqKey="Liu Q">Q. Liu</name></author><author><name sortKey="Wang, Q" uniqKey="Wang Q">Q. Wang</name></author><author><name sortKey="Sun, Z" uniqKey="Sun Z">Z. Sun</name></author><author><name sortKey="Su, S" uniqKey="Su S">S. Su</name></author><author><name sortKey="Du, L" uniqKey="Du L">L. Du</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Kamitani, W" uniqKey="Kamitani W">W. Kamitani</name></author><author><name sortKey="Narayanan, K" uniqKey="Narayanan K">K. Narayanan</name></author><author><name sortKey="Huang, C" uniqKey="Huang C">C. Huang</name></author><author><name sortKey="Lokugamage, K" uniqKey="Lokugamage K">K. Lokugamage</name></author><author><name sortKey="Ikegami, T" uniqKey="Ikegami T">T. Ikegami</name></author><author><name sortKey="Ito, N" uniqKey="Ito N">N. Ito</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Narayanan, K" uniqKey="Narayanan K">K. Narayanan</name></author><author><name sortKey="Huang, C" uniqKey="Huang C">C. Huang</name></author><author><name sortKey="Lokugamage, K" uniqKey="Lokugamage K">K. Lokugamage</name></author><author><name sortKey="Kamitani, W" uniqKey="Kamitani W">W. Kamitani</name></author><author><name sortKey="Ikegami, T" uniqKey="Ikegami T">T. Ikegami</name></author><author><name sortKey="Tseng, C T K" uniqKey="Tseng C">C.T.K. Tseng</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Forni, D" uniqKey="Forni D">D. Forni</name></author><author><name sortKey="Cagliani, R" uniqKey="Cagliani R">R. Cagliani</name></author><author><name sortKey="Mozzi, A" uniqKey="Mozzi A">A. Mozzi</name></author><author><name sortKey="Pozzoli, U" uniqKey="Pozzoli U">U. Pozzoli</name></author><author><name sortKey="Al Daghri, N" uniqKey="Al Daghri N">N. Al-Daghri</name></author><author><name sortKey="Clerici, M" uniqKey="Clerici M">M. Clerici</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Taylor, J K" uniqKey="Taylor J">J.K. Taylor</name></author><author><name sortKey="Coleman, C M" uniqKey="Coleman C">C.M. Coleman</name></author><author><name sortKey="Postel, S" uniqKey="Postel S">S. Postel</name></author><author><name sortKey="Sisk, J M" uniqKey="Sisk J">J.M. Sisk</name></author><author><name sortKey="Bernbaum, J G" uniqKey="Bernbaum J">J.G. Bernbaum</name></author><author><name sortKey="Venkataraman, T" uniqKey="Venkataraman T">T. Venkataraman</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Glowacka, I" uniqKey="Glowacka I">I. Glowacka</name></author><author><name sortKey="Bertram, S" uniqKey="Bertram S">S. Bertram</name></author><author><name sortKey="Muller, M A" uniqKey="Muller M">M.A. Muller</name></author><author><name sortKey="Allen, P" uniqKey="Allen P">P. Allen</name></author><author><name sortKey="Soilleux, E" uniqKey="Soilleux E">E. Soilleux</name></author><author><name sortKey="Pfefferle, S" uniqKey="Pfefferle S">S. Pfefferle</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Holshue, M L" uniqKey="Holshue M">M.L. Holshue</name></author><author><name sortKey="De Bolt, C" uniqKey="De Bolt C">C. De Bolt</name></author><author><name sortKey="Lindquist, S" uniqKey="Lindquist S">S. Lindquist</name></author><author><name sortKey="Lofy, K H" uniqKey="Lofy K">K.H. Lofy</name></author><author><name sortKey="Wiesman, J" uniqKey="Wiesman J">J. Wiesman</name></author><author><name sortKey="Bruce, H" uniqKey="Bruce H">H. Bruce</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Wang, M" uniqKey="Wang M">M. Wang</name></author><author><name sortKey="Cao, R" uniqKey="Cao R">R. Cao</name></author><author><name sortKey="Zhang, L" uniqKey="Zhang L">L. Zhang</name></author><author><name sortKey="Yang, X" uniqKey="Yang X">X. Yang</name></author><author><name sortKey="Liu, J" uniqKey="Liu J">J. Liu</name></author><author><name sortKey="Xu, M" uniqKey="Xu M">M. Xu</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Van Der Linden, L" uniqKey="Van Der Linden L">L. van der Linden</name></author><author><name sortKey="Vives Adrian, L" uniqKey="Vives Adrian L">L. Vives-Adrián</name></author><author><name sortKey="Selisko, B" uniqKey="Selisko B">B. Selisko</name></author><author><name sortKey="Ferrer Orta, C" uniqKey="Ferrer Orta C">C. Ferrer-Orta</name></author><author><name sortKey="Liu, X" uniqKey="Liu X">X. Liu</name></author><author><name sortKey="Lanke, K" uniqKey="Lanke K">K. Lanke</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Muegge, I" uniqKey="Muegge I">I. Muegge</name></author><author><name sortKey="Martin, Y C" uniqKey="Martin Y">Y.C. Martin</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Neves, M A" uniqKey="Neves M">M.A. Neves</name></author><author><name sortKey="Totrov, M" uniqKey="Totrov M">M. Totrov</name></author><author><name sortKey="Abagyan, R" uniqKey="Abagyan R">R. Abagyan</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Guan, W" uniqKey="Guan W">W. Guan</name></author><author><name sortKey="Ni, Z" uniqKey="Ni Z">Z. Ni</name></author><author><name sortKey="Hu, Y" uniqKey="Hu Y">Y. Hu</name></author><author><name sortKey="Liang, W" uniqKey="Liang W">W. Liang</name></author><author><name sortKey="Ou, C" uniqKey="Ou C">C. Ou</name></author><author><name sortKey="He, J" uniqKey="He J">J. He</name></author></analytic></biblStruct><biblStruct></biblStruct><biblStruct><analytic><author><name sortKey="Ye, R" uniqKey="Ye R">R. Ye</name></author><author><name sortKey="Liu, Z" uniqKey="Liu Z">Z. Liu</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Heald Sargent, T" uniqKey="Heald Sargent T">T. Heald-Sargent</name></author><author><name sortKey="Gallagher, I" uniqKey="Gallagher I">I. Gallagher</name></author></analytic></biblStruct></listBibl></div1></back></TEI><affiliations><list><country><li>République populaire de Chine</li></country><region><li>Hubei</li></region><settlement><li>Pékin</li><li>Wuhan</li></settlement></list><tree><country name="République populaire de Chine"><region name="Hubei"><name sortKey="Wu, Canrong" sort="Wu, Canrong" uniqKey="Wu C" first="Canrong" last="Wu">Canrong Wu</name></region><name sortKey="Chen, Lixia" sort="Chen, Lixia" uniqKey="Chen L" first="Lixia" last="Chen">Lixia Chen</name><name sortKey="Li, Hua" sort="Li, Hua" uniqKey="Li H" first="Hua" last="Li">Hua Li</name><name sortKey="Li, Hua" sort="Li, Hua" uniqKey="Li H" first="Hua" last="Li">Hua Li</name><name sortKey="Li, Mingxue" sort="Li, Mingxue" uniqKey="Li M" first="Mingxue" last="Li">Mingxue Li</name><name sortKey="Li, Xingzhou" sort="Li, Xingzhou" uniqKey="Li X" first="Xingzhou" last="Li">Xingzhou Li</name><name sortKey="Liu, Yang" sort="Liu, Yang" uniqKey="Liu Y" first="Yang" last="Liu">Yang Liu</name><name sortKey="Wang, Qiqi" sort="Wang, Qiqi" uniqKey="Wang Q" first="Qiqi" last="Wang">Qiqi Wang</name><name sortKey="Wang, Yali" sort="Wang, Yali" uniqKey="Wang Y" first="Yali" last="Wang">Yali Wang</name><name sortKey="Xu, Yang" sort="Xu, Yang" uniqKey="Xu Y" first="Yang" last="Xu">Yang Xu</name><name sortKey="Yang, Yueying" sort="Yang, Yueying" uniqKey="Yang Y" first="Yueying" last="Yang">Yueying Yang</name><name sortKey="Zhang, Peng" sort="Zhang, Peng" uniqKey="Zhang P" first="Peng" last="Zhang">Peng Zhang</name><name sortKey="Zheng, Mengzhu" sort="Zheng, Mengzhu" uniqKey="Zheng M" first="Mengzhu" last="Zheng">Mengzhu Zheng</name><name sortKey="Zhong, Wu" sort="Zhong, Wu" uniqKey="Zhong W" first="Wu" last="Zhong">Wu Zhong</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Sante/explor/SrasV1/Data/2020/Analysis
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000997 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/2020/Analysis/biblio.hfd -nk 000997 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Sante
|area= SrasV1
|flux= 2020
|étape= Analysis
|type= RBID
|clé= PMC:7102550
|texte= Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
}}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/2020/Analysis/RBID.i -Sk "pubmed:32292689" \
| HfdSelect -Kh $EXPLOR_AREA/Data/2020/Analysis/biblio.hfd \
| NlmPubMed2Wicri -a SrasV1
| This area was generated with Dilib version V0.6.33. |  |