{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T15:36:51Z","timestamp":1790869011700,"version":"4.1.0"},"reference-count":42,"publisher":"Informa UK Limited","issue":"16","funder":[{"name":"UGC grant, University of Allahabad, Allahabad, India"}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2023,11,2]]},"DOI":"10.1080\/07391102.2022.2130980","type":"journal-article","created":{"date-parts":[[2022,10,14]],"date-time":"2022-10-14T01:47:21Z","timestamp":1665712041000},"page":"8068-8080","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":3,"title":["Hydroxyalkynyl uracil derivatives as NNRTIs against HIV-1: <i>in silico<\/i> predictions, synthesis, docking and molecular dynamics simulation studies"],"prefix":"10.1080","volume":"41","author":[{"given":"Madhu","family":"Yadav","sequence":"first","affiliation":[{"name":"Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Prayagraj, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ritika","family":"Srivastava","sequence":"additional","affiliation":[{"name":"Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Farha","family":"Naaz","sequence":"additional","affiliation":[{"name":"Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Prayagraj, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3083-3957","authenticated-orcid":false,"given":"Parth Sarthi","family":"Sen Gupta","sequence":"additional","affiliation":[{"name":"School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, Pune, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saroj Kumar","family":"Panda","sequence":"additional","affiliation":[{"name":"Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1713-8220","authenticated-orcid":false,"given":"Malay Kumar","family":"Rana","sequence":"additional","affiliation":[{"name":"Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3196-6548","authenticated-orcid":false,"given":"Ramendra K.","family":"Singh","sequence":"additional","affiliation":[{"name":"Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Prayagraj, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2022,10,13]]},"reference":[{"key":"CIT0001","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00986-09"},{"key":"CIT0002","doi-asserted-by":"publisher","DOI":"10.1096\/fj.07-8697rev"},{"key":"CIT0003","doi-asserted-by":"publisher","DOI":"10.1016\/S0079-6107(97)00005-9"},{"key":"CIT0004","doi-asserted-by":"publisher","DOI":"10.1016\/S0958-1669(96)80120-0"},{"key":"CIT0005","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2019.11.010"},{"key":"CIT0006","doi-asserted-by":"publisher","DOI":"10.1081\/NCN-120006831"},{"key":"CIT0007","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijantimicag.2008.10.010"},{"key":"CIT0008","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.9b00175"},{"key":"CIT0009","volume-title":"Molecular modeling program package","author":"Discovery Studio 3.0.","year":"2011"},{"key":"CIT0010","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.94.8.3984"},{"key":"CIT0011","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.09.013"},{"key":"CIT0012","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2020.114375"},{"issue":"14","key":"CIT0013","first-page":"1","volume":"39","author":"Gupta P. S. S.","year":"2020","journal-title":"Journal of Biomolecular Structure & Dynamics"},{"key":"CIT0014","doi-asserted-by":"publisher","DOI":"10.1021\/jm960056x"},{"key":"CIT0015","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21123"},{"key":"CIT0016","doi-asserted-by":"publisher","DOI":"10.1021\/jm040840e"},{"key":"CIT0017","first-page":"9, 1903","volume":"55","author":"Jianzhong C.","year":"2015","journal-title":"Journal of Chemical Information and Modeling"},{"key":"CIT0018","doi-asserted-by":"publisher","DOI":"10.1038\/srep06872"},{"key":"CIT0019","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2015.12.072"},{"key":"CIT0020","doi-asserted-by":"publisher","DOI":"10.1021\/ci500020m"},{"key":"CIT0021","doi-asserted-by":"publisher","DOI":"10.1016\/S1056-8719(00)00107-6"},{"key":"CIT0022","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2016.04.029"},{"key":"CIT0023","doi-asserted-by":"publisher","DOI":"10.1038\/nrc1074"},{"key":"CIT0024","doi-asserted-by":"publisher","DOI":"10.1021\/j100389a010"},{"key":"CIT0025","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130714"},{"key":"CIT0026","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2019.1624296"},{"key":"CIT0027","doi-asserted-by":"publisher","DOI":"10.1517\/13543776.17.9.1061"},{"key":"CIT0028","first-page":"778","volume-title":"Encyclopedia of virology, Immunology and Microbiology","author":"Ranga V. S.","year":"1999","edition":"2"},{"key":"CIT0029","doi-asserted-by":"publisher","DOI":"10.1016\/S1359-6446(01)02091-8"},{"key":"CIT0030","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1839564"},{"key":"CIT0031","doi-asserted-by":"publisher","DOI":"10.1186\/1756-0500-5-367"},{"key":"CIT0032","doi-asserted-by":"publisher","DOI":"10.1177\/095632020301400506"},{"key":"CIT0033","doi-asserted-by":"publisher","DOI":"10.18356\/9789210012249"},{"key":"CIT0034","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(02)00164-X"},{"key":"CIT0035","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"CIT0036","doi-asserted-by":"publisher","DOI":"10.1021\/jm0203783"},{"key":"CIT0037","doi-asserted-by":"crossref","first-page":"27","DOI":"10.2174\/138161212798919075","volume":"18","author":"Wenmin C.","year":"2012","journal-title":"Current Pharmaceutical Design,"},{"issue":"4","key":"CIT0038","first-page":"132","volume":"24","author":"Wensing A. M.","year":"2016","journal-title":"Topics in Antiviral Medicine"},{"key":"CIT0039","doi-asserted-by":"publisher","DOI":"10.1110\/ps.072829007"},{"key":"CIT0040","doi-asserted-by":"publisher","DOI":"10.2174\/092986712803414169"},{"key":"CIT0041","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00239-06"},{"key":"CIT0042","first-page":"E1","author":"Zhan P.","year":"2013","journal-title":"Medicinal Research Reviews,\u00a033("}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2022.2130980","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,31]],"date-time":"2023-08-31T18:50:32Z","timestamp":1693507832000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2022.2130980"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,10,13]]},"references-count":42,"journal-issue":{"issue":"16","published-print":{"date-parts":[[2023,11,2]]}},"alternative-id":["10.1080\/07391102.2022.2130980"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2022.2130980","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,10,13]]},"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":"2022-01-21","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-09-24","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-10-13","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}