{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T16:42:29Z","timestamp":1787244149105,"version":"build-2736575974"},"reference-count":89,"publisher":"Informa UK Limited","issue":"9","funder":[{"name":"not funded"}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Expert Opinion on Drug Discovery"],"published-print":{"date-parts":[[2020,9,1]]},"DOI":"10.1080\/17460441.2020.1773428","type":"journal-article","created":{"date-parts":[[2020,7,21]],"date-time":"2020-07-21T09:41:50Z","timestamp":1595324510000},"page":"1095-1109","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":23,"title":["The recent application of 3D-QSAR and docking studies to novel HIV-protease inhibitor drug discovery"],"prefix":"10.1080","volume":"15","author":[{"given":"Fisayo A.","family":"Olotu","sequence":"first","affiliation":[{"name":"Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Clement","family":"Agoni","sequence":"additional","affiliation":[{"name":"Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Opeyemi","family":"Soremekun","sequence":"additional","affiliation":[{"name":"Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mahmoud E. S.","family":"Soliman","sequence":"additional","affiliation":[{"name":"Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2020,7,21]]},"reference":[{"key":"cit0001","doi-asserted-by":"publisher","DOI":"10.2147\/HIV.S196085"},{"key":"cit0002","doi-asserted-by":"publisher","DOI":"10.1016\/j.eclinm.2019.08.007"},{"key":"cit0003","doi-asserted-by":"publisher","DOI":"10.1097\/COH.0000000000000472"},{"key":"cit0004","doi-asserted-by":"publisher","DOI":"10.1155\/2018\/8724549"},{"key":"cit0005","doi-asserted-by":"publisher","DOI":"10.1016\/j.coviro.2019.06.001"},{"key":"cit0006","doi-asserted-by":"publisher","DOI":"10.2147\/HIV.S79956"},{"key":"cit0007","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b01697"},{"key":"cit0008","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2018.1529702"},{"key":"cit0009","doi-asserted-by":"publisher","DOI":"10.2147\/tcrm.s3285"},{"key":"cit0010","doi-asserted-by":"publisher","DOI":"10.1016\/S1937-6448(10)80005-X"},{"key":"cit0011","doi-asserted-by":"crossref","unstructured":"Liebert MA, Requena DGDE, Gallego O, et al. Indinavir plasma concentrations and resistance mutations in patients experiencing early virological failure. AIDS Res Hum Retroviruses. 2003;19:457\u2013459.","DOI":"10.1089\/088922203766774496"},{"key":"cit0012","doi-asserted-by":"crossref","unstructured":"Max B, Sherer R Management of the adverse effects of antiretroviral therapy and medication adherence 2000:96\u2013116.","DOI":"10.1086\/313859"},{"key":"cit0013","doi-asserted-by":"crossref","unstructured":"Gantt S, Carlsson J, Ikoma M, et al. The HIV protease inhibitor nelfinavir inhibits Kaposi \u2019 s sarcoma-associated herpesvirus replication in vitro. \u00a0Antimicrob Agents Chemother. 2011;55:2696\u20132703.","DOI":"10.1128\/AAC.01295-10"},{"key":"cit0014","doi-asserted-by":"crossref","unstructured":"Noor MA, Parker RA, Mara EO, et al. The effects of HIV protease inhibitors atazanavir and lopinavir\/ritonavir on insulin sensitivity in HIV-seronegative healthy adults 2004.","DOI":"10.1097\/00002030-200411050-00005"},{"key":"cit0015","doi-asserted-by":"publisher","DOI":"10.1097\/01.aids.0000222074.45372.00"},{"key":"cit0016","doi-asserted-by":"crossref","unstructured":"Cresswell FV, Tomlins J. Achilles tendinopathy following Kaletra (lopinavir\/ritonavir) use. Int J STD AIDS. 2014;25:833\u2013835.","DOI":"10.1177\/0956462414523403"},{"key":"cit0017","doi-asserted-by":"crossref","unstructured":"St H, Millard J, Rooney J, et al. In vitro antiviral activity of 141W94 (VX-478) in combination with other antiretroviral agents. ANTIVIR RES. 1996;29:53\u201356.","DOI":"10.1016\/0166-3542(95)00916-7"},{"key":"cit0018","first-page":"633","volume":"65","author":"Profile T","year":"2005","journal-title":"Efficacy Tolerability Profile"},{"key":"cit0019","unstructured":"Company BS. Rx only Microbiology n.d."},{"key":"cit0020","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.44.5.1328-1332.2000"},{"key":"cit0021","doi-asserted-by":"publisher","DOI":"10.1093\/jac\/dkl034"},{"key":"cit0022","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2004.02.052"},{"key":"cit0023","doi-asserted-by":"crossref","unstructured":"Antinori A, Meraviglia P, Arminio A, et al. Effectiveness, durability, and safety of darunavir\/ritonavir in HIV-1-infected patients in routine clinical practice in Italy: a postauthorization noninterventional study 2016:1589\u20131603.","DOI":"10.2147\/DDDT.S104875"},{"key":"cit0024","doi-asserted-by":"publisher","DOI":"10.3390\/v2071411"},{"key":"cit0025","first-page":"59","volume":"18","author":"Rule AM","journal-title":"Pain Manage Network"},{"key":"cit0026","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2009.10.003"},{"key":"cit0027","doi-asserted-by":"publisher","DOI":"10.4172\/2155-6113.1000581"},{"key":"cit0028","doi-asserted-by":"publisher","DOI":"10.5812\/archcid.69153"},{"key":"cit0029","doi-asserted-by":"publisher","DOI":"10.1089\/apc.2007.0099"},{"key":"cit0030","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00574-10"},{"key":"cit0031","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21808"},{"key":"cit0032","doi-asserted-by":"publisher","DOI":"10.1002\/pro.2019"},{"key":"cit0033","doi-asserted-by":"publisher","DOI":"10.1038\/srep10517"},{"key":"cit0034","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1000345"},{"key":"cit0035","doi-asserted-by":"publisher","DOI":"10.1021\/jm1008743"},{"key":"cit0036","doi-asserted-by":"publisher","DOI":"10.1007\/978-94-007-0711-5_37"},{"key":"cit0037","doi-asserted-by":"publisher","DOI":"10.2174\/1568026023392887"},{"key":"cit0038","first-page":"105","volume-title":"Pract. Appl. Comput. Drug Des","author":"Hopfinger A","year":"1997"},{"key":"cit0039","first-page":"571","volume-title":"Comput. Med. Chem. Drug Discov","author":"Oprea T","year":"2004"},{"key":"cit0040","doi-asserted-by":"crossref","unstructured":"Verma J, Khedkar VM, Coutinho EC. 3D-QSAR in Drug Design - A Review. Curr Top Med Chem. 2010;10:95\u2013115.","DOI":"10.2174\/156802610790232260"},{"key":"cit0041","doi-asserted-by":"crossref","unstructured":"Madhavan T. A Review of 3D-QSAR in Drug Design. JCNS.\u00a02012;5:1\u20135.","DOI":"10.13160\/ricns.2012.5.1.001"},{"key":"cit0042","first-page":"3","volume-title":"3D QSAR Drug Des. - Recent Adv","author":"Martin Y","year":"1998"},{"key":"cit0043","doi-asserted-by":"publisher","DOI":"10.2174\/1875036201307010063"},{"key":"cit0044","volume":"455","author":"Cheng Q","year":"2018","journal-title":"Mol Catal"},{"key":"cit0045","doi-asserted-by":"publisher","DOI":"10.1007\/s00044-014-1072-3"},{"key":"cit0046","doi-asserted-by":"publisher","DOI":"10.1021\/ja00226a005"},{"key":"cit0047","doi-asserted-by":"publisher","DOI":"10.1021\/jm00050a010"},{"key":"cit0048","doi-asserted-by":"publisher","DOI":"10.1021\/jm00041a010"},{"key":"cit0049","doi-asserted-by":"publisher","DOI":"10.1021\/jm950589q"},{"key":"cit0050","doi-asserted-by":"publisher","DOI":"10.1021\/jm9810607"},{"key":"cit0051","doi-asserted-by":"publisher","DOI":"10.1021\/jm020808p"},{"key":"cit0052","first-page":"535","volume":"9","author":"Semus S","year":"1999","journal-title":"Med Chem Res"},{"key":"cit0053","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-006-9051-5"},{"key":"cit0054","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-008-0399-4"},{"key":"cit0055","doi-asserted-by":"publisher","DOI":"10.1021\/jm00014a020"},{"key":"cit0056","doi-asserted-by":"publisher","DOI":"10.2174\/092986707781058814"},{"key":"cit0057","volume-title":"HQSAR: a new, highly predictive QSAR technique. Tripos tech. notes","author":"Lowis D","year":"1997"},{"key":"cit0058","doi-asserted-by":"publisher","DOI":"10.1002\/cem.1180080405"},{"key":"cit0059","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008026308790"},{"key":"cit0060","doi-asserted-by":"publisher","DOI":"10.1021\/jm000941m"},{"key":"cit0061","doi-asserted-by":"publisher","DOI":"10.1021\/jm00042a006"},{"key":"cit0062","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-008-9172-0"},{"key":"cit0063","doi-asserted-by":"publisher","DOI":"10.1016\/B978-012213810-2\/50006-2"},{"key":"cit0064","unstructured":"Rachana KOL, Rani S. Modern drug design with advancement in QSAR : A review. Int J Res Biosciences. 2013;2:1\u201312."},{"key":"cit0065","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2019.126961"},{"key":"cit0066","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2017.03.024"},{"key":"cit0067","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-27282-5"},{"key":"cit0068","first-page":"539","volume-title":"Comput. Med. Chem. Drug Discov","author":"Kubinyi H","year":"2004"},{"key":"cit0069","doi-asserted-by":"publisher","DOI":"10.1023\/A:1023888813526"},{"key":"cit0070","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2009.05.016"},{"key":"cit0071","doi-asserted-by":"publisher","DOI":"10.2174\/157340611794859370"},{"key":"cit0072","author":"Kubinyi H","year":"200","journal-title":"Comput Med Chem Drug Discov"},{"key":"cit0073","doi-asserted-by":"publisher","DOI":"10.1007\/0-306-46858-1_1"},{"key":"cit0074","doi-asserted-by":"publisher","DOI":"10.1021\/jm010417v"},{"key":"cit0075","doi-asserted-by":"publisher","DOI":"10.1186\/1752-153X-7-88"},{"key":"cit0076","doi-asserted-by":"publisher","DOI":"10.1021\/jm8009525"},{"key":"cit0077","doi-asserted-by":"publisher","DOI":"10.1021\/jm0102710"},{"key":"cit0078","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2008.09.107"},{"key":"cit0079","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2007.10.044"},{"key":"cit0080","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.200700229"},{"key":"cit0081","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-009-0636-5"},{"key":"cit0082","doi-asserted-by":"publisher","DOI":"10.1007\/s00044-016-1701-0"},{"key":"cit0083","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2016.09.052"},{"key":"cit0084","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2018.1447511"},{"key":"cit0085","doi-asserted-by":"publisher","DOI":"10.1007\/s11051-016-3564-1"},{"key":"cit0086","doi-asserted-by":"publisher","DOI":"10.3390\/ijms20102510"},{"key":"cit0087","doi-asserted-by":"publisher","DOI":"10.5772\/intechopen.85991"},{"key":"cit0088","doi-asserted-by":"publisher","DOI":"10.1039\/C6MB00574H"},{"key":"cit0089","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2014.12.001"}],"container-title":["Expert Opinion on Drug Discovery"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/17460441.2020.1773428","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,5,7]],"date-time":"2021-05-07T22:38:22Z","timestamp":1620427102000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/17460441.2020.1773428"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,7,21]]},"references-count":89,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2020,9,1]]}},"alternative-id":["10.1080\/17460441.2020.1773428"],"URL":"https:\/\/doi.org\/10.1080\/17460441.2020.1773428","relation":{},"ISSN":["1746-0441","1746-045X"],"issn-type":[{"value":"1746-0441","type":"print"},{"value":"1746-045X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,7,21]]},"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=iedc20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=iedc20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2019-12-03","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-05-20","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-07-21","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}