{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T15:06:51Z","timestamp":1792076811991,"version":"4.4.0"},"reference-count":50,"publisher":"F1000 Research Ltd","license":[{"start":{"date-parts":[[2020,9,23]],"date-time":"2020-09-23T00:00:00Z","timestamp":1600819200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001411","name":"Indian Council of Medical Research","doi-asserted-by":"publisher","award":["45\/33\/2019\/PHA\/BMS"],"award-info":[{"award-number":["45\/33\/2019\/PHA\/BMS"]}],"id":[{"id":"10.13039\/501100001411","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["EMR\/2016\/007006"],"award-info":[{"award-number":["EMR\/2016\/007006"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100019305","name":"Manipal Academy of Higher Education","doi-asserted-by":"crossref","id":[{"id":"10.13039\/100019305","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["f1000research.com"],"crossmark-restriction":false},"short-container-title":["F1000Res"],"abstract":"<ns4:p>\n                    <ns4:bold>Background:<\/ns4:bold>\n                    The coronavirus disease 2019 (COVID-19) pandemic, caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), took more lives than combined epidemics of SARS, MERS, H1N1, and Ebola. Currently, the prevention and control of spread are the goals in COVID-19 management as there are no specific drugs to cure or vaccines available for prevention. Hence, the drug repurposing was explored by many research groups, and many target proteins have been examined. The major protease (M\n                    <ns4:sup>pro<\/ns4:sup>\n                    ), and RNA-dependent RNA polymerase (RdRp) are two target proteins in SARS-CoV-2 that have been validated and extensively studied for drug development in COVID-19. The RdRp shares a high degree of homology between those of two previously known coronaviruses, SARS-CoV and MERS-CoV.\n                  <\/ns4:p>\n                  <ns4:p>\n                    <ns4:bold>Methods:<\/ns4:bold>\n                    In this study, the FDA approved library of drugs were docked against the active site of RdRp using Schrodinger's computer-aided drug discovery tools for\n                    <ns4:italic>in silico<\/ns4:italic>\n                    drug-repurposing.\n                  <\/ns4:p>\n                  <ns4:p>\n                    <ns4:bold>Results:<\/ns4:bold>\n                    We have shortlisted 14 drugs from the Standard Precision docking and interaction-wise study of drug-binding with the active site on the enzyme. These drugs are antibiotics, NSAIDs, hypolipidemic, coagulant, thrombolytic, and anti-allergics. In molecular dynamics simulations, pitavastatin, ridogrel and rosoxacin displayed superior binding with the active site through ARG555 and divalent magnesium.\n                  <\/ns4:p>\n                  <ns4:p>\n                    <ns4:bold>Conclusion:<\/ns4:bold>\n                    Pitavastatin, ridogrel and rosoxacin can be further optimized in preclinical and clinical studies to determine their possible role in COVID-19 treatment.\n                  <\/ns4:p>","DOI":"10.12688\/f1000research.26359.1","type":"journal-article","created":{"date-parts":[[2020,9,23]],"date-time":"2020-09-23T05:45:13Z","timestamp":1600839913000},"page":"1166","update-policy":"https:\/\/doi.org\/10.12688\/f1000research.crossmark-policy","source":"Crossref","is-referenced-by-count":56,"title":["Targeting SARS-CoV-2 RNA-dependent RNA polymerase: An in silico drug repurposing for 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Y.","family":"Nayak","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0508-1394","authenticated-orcid":false,"given":"Yogendra","family":"Nayak","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"2560","published-online":{"date-parts":[[2020,9,23]]},"reference":[{"key":"ref-1","doi-asserted-by":"publisher","first-page":"265-269","DOI":"10.1038\/s41586-020-2008-3","article-title":"A new coronavirus associated with human respiratory disease in China.","volume":"579","author":"F Wu","year":"2020","journal-title":"Nature."},{"key":"ref-2","doi-asserted-by":"publisher","DOI":"10.1016\/b978-0-12-809633-8.21501-x","article-title":"Human Coronavirus-229E, -OC43, -NL63, and -HKU1.","author":"D Liu","year":"2020","journal-title":"Ref Modul Life 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indexed","URL":"https:\/\/f1000research.com\/articles\/9-1166\/v1#referee-response-71828","order":2,"name":"referee-response-71828","label":"Referee Report","group":{"name":"article-reports","label":"Article Reports"}},{"value":"<b>Yogendra Nayak<\/b>; \n<i>Posted: 03 Nov 2020<\/i>; The authors thank the reviewer for positive comments","URL":"https:\/\/f1000research.com\/articles\/9-1166\/v1#referee-comment-6087","order":3,"name":"referee-comment-6087","label":"Referee Comment","group":{"name":"article-reports","label":"Article Reports"}},{"value":"Manipal Academy of Higher Education (MAHE), Manipal, India, supported Krishnaprasad Baby and Akhil Suresh with TMA Pai Fellowship for PhD and funding APC for this manuscript as per MAHE Research Policies to encourage Open Access. The Indian Council for Medical Research supported Swastika Maity by Senior Research Fellowship (45\/33\/2019\/PHA\/BMS). The Department of Science and Technology, Science and Engineering Research Board (DST-SERB) for Extramural Grant to procure Schrodinger\u2019s Suit to Usha YN (PI) (EMR\/2016\/007006). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.","order":4,"name":"grant-information","label":"Grant Information"},{"value":"This is an open access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.","order":0,"name":"copyright-info","label":"Copyright"}]}}