{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,8]],"date-time":"2026-04-08T05:29:59Z","timestamp":1775626199321,"version":"3.50.1"},"reference-count":70,"publisher":"Informa UK Limited","issue":"24","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2022,12,26]]},"DOI":"10.1080\/07391102.2021.2000498","type":"journal-article","created":{"date-parts":[[2021,11,16]],"date-time":"2021-11-16T18:31:26Z","timestamp":1637087486000},"page":"14067-14083","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":18,"title":["Suramin, penciclovir, and anidulafungin exhibit potential in the treatment of COVID-19 via binding to nsp12 of SARS-CoV-2"],"prefix":"10.1080","volume":"40","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7062-9574","authenticated-orcid":false,"given":"Sanjay Kumar","family":"Dey","sequence":"first","affiliation":[{"name":"Center for Advanced Biotechnology and Medicine, Rutgers University","place":["New Brunswick, USA"]},{"name":"Department of Biochemistry, University of Delhi South Campus","place":["New Delhi, India"]},{"name":"Dr. B.R. Ambedkar Center for Biomedical Research, University of Delhi","place":["Delhi, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Manisha","family":"Saini","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Delhi South Campus","place":["New Delhi, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chetna","family":"Dhembla","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Delhi South Campus","place":["New Delhi, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shruti","family":"Bhatt","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Delhi South Campus","place":["New Delhi, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A. Sai","family":"Rajesh","sequence":"additional","affiliation":[{"name":"Department of Biosciences and Biotechnology, Fakir Mohan University","place":["Odisha, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Varnita","family":"Anand","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Delhi South Campus","place":["New Delhi, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hirendra Kumar","family":"Das","sequence":"additional","affiliation":[{"name":"School of Biotechnology, Jawaharlal Nehru University","place":["New Delhi, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8960-2096","authenticated-orcid":false,"given":"Suman","family":"Kundu","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Delhi South Campus","place":["New Delhi, India"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2021,11,16]]},"reference":[{"key":"e_1_3_3_2_1","doi-asserted-by":"publisher","DOI":"10.31219\/osf.io\/fjnzc"},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1841028"},{"key":"e_1_3_3_4_1","doi-asserted-by":"publisher","DOI":"10.1128\/CMR.16.1.114-128.2003"},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phpro.2015.07.101"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2020.104117"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1766572"},{"key":"e_1_3_3_8_1","doi-asserted-by":"publisher","DOI":"10.20944\/preprints202003.0393.v1"},{"key":"e_1_3_3_9_1","doi-asserted-by":"publisher","DOI":"10.1093\/jtm\/taaa008"},{"key":"e_1_3_3_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2015.11.3458"},{"key":"e_1_3_3_11_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2019.1604263"},{"key":"e_1_3_3_12_1","doi-asserted-by":"publisher","DOI":"10.1001\/jama.1987.03400100081025"},{"key":"e_1_3_3_13_1","doi-asserted-by":"crossref","unstructured":"Chien M. Anderson T.K. Jockusch S. Tao C. Li X. Kumar S. Russo J.J. Kirchdoerfer R.N. and Ju J. (2020). Nucleotide analogues as inhibitors of SARS-CoV-2 polymerase a key drug target for COVID-19. Journal of proteome research 19(11) 4690\u20134697.","DOI":"10.1021\/acs.jproteome.0c00392"},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/16.22.10881"},{"key":"e_1_3_3_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/jasms.1c00086"},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0091765"},{"key":"e_1_3_3_17_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.7150\/ijbs.45587"},{"key":"e_1_3_3_19_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.2000498"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.lfs.2020.117592"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/jmv.24934"},{"key":"e_1_3_3_22_1","doi-asserted-by":"publisher","DOI":"10.1166\/jctn.2015.3739"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.2217\/fvl-2017-0027"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2018.1454981"},{"key":"e_1_3_3_25_1","doi-asserted-by":"publisher","DOI":"10.1002\/jmv.24736"},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.2217\/fvl-2020-0050"},{"issue":"3","key":"e_1_3_3_27_1","first-page":"56","article-title":"Solubility: A speed\u2012breaker on the drug discovery highway","volume":"3","author":"Ganesan A.","year":"2017","unstructured":"Ganesan, A., & Barakat, K. (2017). Solubility: A speed\u2012breaker on the drug discovery highway. MOJ Bioequivalence & Bioavailability, 3(3), 56\u201358.","journal-title":"MOJ Bioequivalence & Bioavailability,"},{"key":"e_1_3_3_28_1","doi-asserted-by":"crossref","unstructured":"Gao Y. Yan L. Huang Y. Liu F. Zhao Y. & Cao L. Wang T. Sun Q. Ming Z. Zhang L. & Ge J. (2020). Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science 368(6492) 779-782.","DOI":"10.1126\/science.abb7498"},{"key":"e_1_3_3_29_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1841680"},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr366"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-59745-177-2_4"},{"key":"e_1_3_3_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00864"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijid.2020.01.009"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00819-20"},{"key":"e_1_3_3_36_1","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2020.01196"},{"issue":"1","key":"e_1_3_3_37_1","first-page":"71","article-title":"Anidulafungin in the treatment of invasive fungal infections","volume":"4","author":"Kathryn S.","year":"2008","unstructured":"Kathryn, S., & Gumbo, T. (2008). Anidulafungin in the treatment of invasive fungal infections. Therapeutics and Clinical Risk Management, 4(1), 71\u201378.","journal-title":"Therapeutics and Clinical Risk Management"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-10280-3"},{"key":"e_1_3_3_39_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm000241h"},{"issue":"1951","key":"e_1_3_3_40_1","first-page":"10","article-title":"Open source drug discovery and A. Lynn","volume":"54","author":"Kumari R.","year":"2014","unstructured":"Kumari, R., & Kumar, R. C. (2014). Open source drug discovery and A. Lynn. Journal of Chemical Information and Modeling, 54(1951), 10\u20131021.","journal-title":"Journal of Chemical Information and Modeling"},{"key":"e_1_3_3_41_1","doi-asserted-by":"publisher","DOI":"10.1002\/prot.23106"},{"key":"e_1_3_3_42_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12935-015-0196-y"},{"key":"e_1_3_3_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(20)30251-8"},{"key":"e_1_3_3_44_1","doi-asserted-by":"publisher","DOI":"10.12921\/cmst.2016.0000060"},{"key":"e_1_3_3_45_1","doi-asserted-by":"crossref","unstructured":"Mirza M. U. & Froeyen M. (2020). Structural Elucidation of SARS-CoV-2 Vital Proteins: Computational Methods Reveal Potential Drug Candidates Against Main Protease Nsp12 RNA-dependent RNA Polymerase and Nsp13 Helicase. Journal of pharmaceutical analysis 10(4) 320\u2013328.","DOI":"10.1016\/j.jpha.2020.04.008"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMp2002106"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1819882"},{"key":"e_1_3_3_48_1","doi-asserted-by":"crossref","unstructured":"Narayanan N. & Nair D. T. (2020). Vitamin B12 May Inhibit RNA-Dependent-RNA Polymerase Activity of nsp12 from the SARS-CoV-2 Virus. IUBMB life 72(10) 2112\u20132120.","DOI":"10.1002\/iub.2359"},{"key":"e_1_3_3_49_1","unstructured":"National Center for Biotechnology Information. PubChem Database. Penciclovir CID = 135398748.Accessed on 8th August 2021. https:\/\/pubchem.ncbi.nlm.nih.gov\/compound\/135398748"},{"key":"e_1_3_3_50_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"},{"key":"e_1_3_3_51_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.1944319"},{"key":"e_1_3_3_52_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gku316"},{"key":"e_1_3_3_53_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00356"},{"key":"e_1_3_3_54_1","doi-asserted-by":"publisher","DOI":"10.20944\/preprints202003.0024.v1"},{"key":"e_1_3_3_55_1","doi-asserted-by":"crossref","unstructured":"Salgado-Benvindo C. Thaler M. Tas A. Ogando N.S. Bredenbeek P.J. Ninaber D.K. Wang Y. Hiemstra P.S. Snijder E.J. and Van Hemert M.J. (2020). Suramin inhibits SARS-CoV-2 infection in cell culture by interfering with early steps of the replication cycle. Antimicrobial Agents and Chemotherapy 64(8) e00900\u201320.","DOI":"10.1128\/AAC.00900-20"},{"key":"e_1_3_3_56_1","volume-title":"Schrodinger software suite. 670","author":"Schrodinger L.","year":"2011","unstructured":"Schrodinger, L. (2011). Schrodinger software suite. 670. Schr\u00f6dinger, LLC."},{"key":"e_1_3_3_57_1","doi-asserted-by":"publisher","DOI":"10.3390\/v10020059"},{"key":"e_1_3_3_58_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodchem.2020.128933"},{"key":"e_1_3_3_59_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct300203w"},{"key":"e_1_3_3_60_1","doi-asserted-by":"publisher","DOI":"10.15252\/emmm.202013105"},{"issue":"10","key":"e_1_3_3_61_1","first-page":"2239","article-title":"Suramin: A novel antineoplastic agent with multiple potential mechanisms of action","volume":"53","author":"Stein C. A.","year":"1993","unstructured":"Stein, C. A. (1993). Suramin: A novel antineoplastic agent with multiple potential mechanisms of action. Cancer Research, 53(10 Suppl), 2239\u20132248.","journal-title":"Cancer Research"},{"key":"e_1_3_3_62_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkp904"},{"key":"e_1_3_3_63_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21367"},{"key":"e_1_3_3_64_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.005"},{"key":"e_1_3_3_65_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41422-020-0282-0"},{"key":"e_1_3_3_66_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00055"},{"key":"e_1_3_3_67_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty879"},{"key":"e_1_3_3_68_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature17180"},{"key":"e_1_3_3_69_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky427"},{"key":"e_1_3_3_70_1","doi-asserted-by":"crossref","unstructured":"Wu C. Liu Y. Yang Y. Zhang P. Zhong W. Wang Y. Wang Q. Xu Y. Li M. Li X. & Zheng M. (2020). Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods. Acta Pharmaceutica Sinica B 10(5) 766\u2013788.","DOI":"10.1016\/j.apsb.2020.02.008"},{"key":"e_1_3_3_71_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c00571"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2021.2000498","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,2,6]],"date-time":"2026-02-06T16:34:23Z","timestamp":1770395663000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2021.2000498"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,11,16]]},"references-count":70,"journal-issue":{"issue":"24","published-print":{"date-parts":[[2022,12,26]]}},"alternative-id":["10.1080\/07391102.2021.2000498"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2021.2000498","relation":{"has-preprint":[{"id-type":"doi","id":"10.31219\/osf.io\/urxwh","asserted-by":"object"}]},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,11,16]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2020-11-10","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2021-10-26","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2021-11-16","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}