{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T18:05:18Z","timestamp":1784311518000,"version":"3.55.0"},"reference-count":32,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2020,7,9]],"date-time":"2020-07-09T00:00:00Z","timestamp":1594252800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["31870135"],"award-info":[{"award-number":["31870135"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["31600116"],"award-info":[{"award-number":["31600116"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Journal of Medical Virology"],"published-print":{"date-parts":[[2021,1]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Since the outbreak of severe acute respiratory syndrome (SARS) in 2003, the harm caused by coronaviruses to the world cannot be underestimated. Recently, a novel coronavirus (severe acute respiratory syndrome coronavirus\u20102 [SARS\u2010CoV\u20102]) initially found to trigger human severe respiratory illness in Wuhan City of China in 2019, has infected more than six million people worldwide by 21 June 2020, and which has been recognized as a public health emergency of international concern as well. And the virus has spread to more than 200 countries around the world. However, the effective drug has not yet been officially licensed or approved to treat SARS\u2010Cov\u20102 and SARS\u2010Cov infection. NSP12\u2010NSP7\u2010NSP8 complex of SARS\u2010CoV\u20102 or SARS\u2010CoV, essential for viral replication and transcription, is generally regarded as a potential target to fight against the virus. According to the NSP12\u2010NSP7\u2010NSP8 complex (PDB ID: 7BW4) structure of SARS\u2010CoV\u20102 and the NSP12\u2010NSP7\u2010NSP8 complex (PDB ID: 6NUR) structure of SARS\u2010CoV, NSP12\u2010NSP7 interface model, and NSP12\u2010NSP8 interface model were established for virtual screening in the present study. Eight compounds (Nilotinib, Saquinavir, Tipranavir, Lonafarnib, Tegobuvir, Olysio, Filibuvir, and Cepharanthine) were selected for binding free energy calculations based on virtual screening and docking scores. All eight compounds can combine well with NSP12\u2010NSP7\u2010NSP8 in the crystal structure, providing drug candidates for the treatment and prevention of coronavirus disease 2019 and SARS.<\/jats:p>","DOI":"10.1002\/jmv.26222","type":"journal-article","created":{"date-parts":[[2020,6,24]],"date-time":"2020-06-24T16:38:16Z","timestamp":1593016696000},"page":"389-400","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":87,"title":["SARS\u2010CoV\u20102 and SARS\u2010CoV: Virtual screening of potential inhibitors targeting RNA\u2010dependent RNA polymerase activity (NSP12)"],"prefix":"10.1002","volume":"93","author":[{"given":"Zijing","family":"Ruan","sequence":"first","affiliation":[{"name":"Non\u2010coding RNA and Drug Discovery Key Laboratory of Sichuan Province, Science and Technology Department Chengdu Medical College  Chengdu Sichuan China"},{"name":"School of Life Science and Engineering Southwest Jiaotong University  Chengdu Sichuan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chao","family":"Liu","sequence":"additional","affiliation":[{"name":"Non\u2010coding RNA and Drug Discovery Key Laboratory of Sichuan Province, Science and Technology Department Chengdu Medical College  Chengdu Sichuan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuting","family":"Guo","sequence":"additional","affiliation":[{"name":"Non\u2010coding RNA and Drug Discovery Key Laboratory of Sichuan Province, Science and Technology Department Chengdu Medical College  Chengdu Sichuan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhenqing","family":"He","sequence":"additional","affiliation":[{"name":"Non\u2010coding RNA and Drug Discovery Key Laboratory of Sichuan Province, Science and Technology Department Chengdu Medical College  Chengdu Sichuan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinhe","family":"Huang","sequence":"additional","affiliation":[{"name":"School of Life Science and Engineering Southwest Jiaotong University  Chengdu Sichuan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1612-1136","authenticated-orcid":false,"given":"Xu","family":"Jia","sequence":"additional","affiliation":[{"name":"Non\u2010coding RNA and Drug Discovery Key Laboratory of Sichuan Province, Science and Technology Department Chengdu Medical College  Chengdu Sichuan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tai","family":"Yang","sequence":"additional","affiliation":[{"name":"School of Pharmacy Chengdu Medical College  Chengdu Sichuan China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2020,7,9]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-020-2012-7"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.15171\/ijoem.2020.1921"},{"key":"e_1_2_8_4_1","first-page":"E001","article-title":"[2019\u2010nCoV: new challenges from coronavirus]","volume":"54","author":"Zhang ZW","year":"2020","journal-title":"Zhonghua Yu Fang Yi Xue za Zhi"},{"issue":"2","key":"e_1_2_8_5_1","first-page":"174","article-title":"SARS\u2010CoV\u20102, SARS\u2010CoV, and MERS\u2010COV: a comparative overview","volume":"28","author":"Rabaan AA","year":"2020","journal-title":"Infez Med"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2020.02.008"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.3390\/v12020244"},{"key":"e_1_2_8_8_1","first-page":"E004","article-title":"[Pulmonary rehabilitation guidelines in the principle of 4S for patients infected with 2019 novel coronavirus (2019\u2010nCoV)]","volume":"43","author":"Yang F","year":"2020","journal-title":"Zhonghua Jie He He Hu Xi Za Zhi"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/bs.aivir.2016.08.008"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrd.2015.37"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1323705111"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.abb7498"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-10280-3"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr893"},{"key":"e_1_2_8_15_1","first-page":"117963\u2010203","article-title":"Virtual screening, ADME\/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID\u201019","volume":"27","author":"Wang H","year":"2020","journal-title":"Life Sci"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1757510"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2020.104786"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmii.2020.03.034"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.3390\/cells8050506"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1186\/s40360-018-0270-x"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1517\/17425250903273160"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1586\/14787210.3.1.9"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2020.03.025"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1517\/13543784.2012.688950"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1111\/liv.14356"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.5152\/tao.2015.1352"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1002\/hep.24744"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0039163"},{"issue":"1","key":"e_1_2_8_29_1","first-page":"6","article-title":"Simeprevir approved for hepatitis C virus infection","volume":"71","author":"Izquierdo L","year":"2014","journal-title":"Pharmgenomics Pers Med"},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/bs.alkal.2018.07.001"},{"issue":"2","key":"e_1_2_8_31_1","first-page":"107","article-title":"[Study on the inhibitory effect of cepharanthine on herpes simplex type\u20101 virus (HSV\u20101) in vitro]","volume":"27","author":"Liu X","year":"2004","journal-title":"Zhong Yao Cai"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1665-2681(19)30843-9"},{"issue":"12","key":"e_1_2_8_33_1","first-page":"938","article-title":"Filibuvir, a non\u2010nucleoside NS5B polymerase inhibitor for the potential oral treatment of chronic HCV infection","volume":"13","author":"Beaulieu PL","year":"2010","journal-title":"IDrugs"}],"container-title":["Journal of Medical Virology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjmv.26222","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jmv.26222","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/jmv.26222","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jmv.26222","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,9,3]],"date-time":"2023-09-03T09:54:11Z","timestamp":1693734851000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jmv.26222"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,7,9]]},"references-count":32,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2021,1]]}},"alternative-id":["10.1002\/jmv.26222"],"URL":"https:\/\/doi.org\/10.1002\/jmv.26222","archive":["Portico"],"relation":{},"ISSN":["0146-6615","1096-9071"],"issn-type":[{"value":"0146-6615","type":"print"},{"value":"1096-9071","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,7,9]]},"assertion":[{"value":"2020-04-14","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-06-22","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-07-09","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}