{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T14:10:47Z","timestamp":1777299047818,"version":"3.51.4"},"reference-count":32,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2018,9,1]],"date-time":"2018-09-01T00:00:00Z","timestamp":1535760000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2018,9,1]],"date-time":"2018-09-01T00:00:00Z","timestamp":1535760000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"funder":[{"DOI":"10.13039\/501100001843","name":"SERB","doi-asserted-by":"publisher","award":["YSS\/2015\/000716"],"award-info":[{"award-number":["YSS\/2015\/000716"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Infection, Genetics and Evolution"],"published-print":{"date-parts":[[2018,9]]},"DOI":"10.1016\/j.meegid.2018.05.005","type":"journal-article","created":{"date-parts":[[2018,5,9]],"date-time":"2018-05-09T20:50:53Z","timestamp":1525899053000},"page":"5-12","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":5,"special_numbering":"C","title":["Chemical system biology based molecular interactions to identify inhibitors against Q151M mutant of HIV-1 reverse transcriptase"],"prefix":"10.1016","volume":"63","author":[{"given":"Rajan Kumar","family":"Pandey","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Drista","family":"Sharma","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rupal","family":"Ojha","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tarun Kumar","family":"Bhatt","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vijay Kumar","family":"Prajapati","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.meegid.2018.05.005_bb0005","doi-asserted-by":"crossref","first-page":"9232","DOI":"10.1038\/s41598-017-09199-w","article-title":"Exploring dengue genome to construct a multi-epitope based subunit vaccine by utilizing immunoinformatics approach to battle against dengue infection","volume":"7","author":"Ali","year":"2017","journal-title":"Sci. Rep."},{"key":"10.1016\/j.meegid.2018.05.005_bb0010","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/j.antiviral.2009.09.008","article-title":"Non-nucleoside reverse transcriptase inhibitors (NNRTIs), their discovery, development, and use in the treatment of HIV-1 infection: a review of the last 20 years (1989\u20132009)","volume":"85","author":"de B\u00e9thune","year":"2010","journal-title":"Antivir. Res."},{"key":"10.1016\/j.meegid.2018.05.005_bb0015","doi-asserted-by":"crossref","first-page":"1661","DOI":"10.1093\/bioinformatics\/bts249","article-title":"DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets","volume":"28","author":"Cereto-Massagu\u00e9","year":"2012","journal-title":"Bioinformatics"},{"key":"10.1016\/j.meegid.2018.05.005_bb0020","doi-asserted-by":"crossref","DOI":"10.1186\/s13065-015-0111-6","article-title":"De-novo design, synthesis and evaluation of novel 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline derivatives as HIV-1 reverse transcriptase inhibitors","volume":"9","author":"Chander","year":"2015","journal-title":"Chem. Cent. J."},{"key":"10.1016\/j.meegid.2018.05.005_bb0025","doi-asserted-by":"crossref","first-page":"734","DOI":"10.2174\/1386207320666170615104703","article-title":"Molecular docking and molecular dynamics simulation based approach to explore the dual inhibitor against HIV-1 reverse transcriptase and integrase","volume":"20","author":"Chander","year":"2017","journal-title":"Comb. Chem. High Throughput Screen."},{"key":"10.1016\/j.meegid.2018.05.005_bb0030","doi-asserted-by":"crossref","first-page":"483","DOI":"10.1126\/science.7824947","article-title":"HIV population dynamics in vivo: implications for genetic variation, pathogenesis, and therapy","volume":"267","author":"Coffin","year":"1995","journal-title":"Science"},{"key":"10.1016\/j.meegid.2018.05.005_bb0035","doi-asserted-by":"crossref","first-page":"830","DOI":"10.1056\/NEJMoa1600693","article-title":"Antiretroviral therapy for the prevention of HIV-1 transmission","volume":"375","author":"Cohen","year":"2016","journal-title":"N. Engl. J. Med."},{"key":"10.1016\/j.meegid.2018.05.005_bb0040","doi-asserted-by":"crossref","first-page":"1455","DOI":"10.1021\/ci900056c","article-title":"Comparison of several molecular docking programs: pose prediction and virtual screening accuracy","volume":"49","author":"Cross","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.meegid.2018.05.005_bb0045","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1146\/annurev.med.60.041807.123549","article-title":"Emerging concepts in the immunopathogenesis of AIDS","volume":"60","author":"Douek","year":"2009","journal-title":"Annu. Rev. Med."},{"key":"10.1016\/j.meegid.2018.05.005_bb0050","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","article-title":"Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy","volume":"47","author":"Friesner","year":"2004","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.meegid.2018.05.005_bb0055","doi-asserted-by":"crossref","first-page":"725","DOI":"10.2174\/138161282005140214163439","article-title":"Structure-based design of conformationally flexible reverse transcriptase inhibitors to combat resistant HIV","volume":"20","author":"Hao","year":"2014","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.meegid.2018.05.005_bb0060","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1021\/ct700200b","article-title":"P-LINCS: a parallel linear constraint solver for molecular simulation","volume":"4","author":"Hess","year":"2008","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.meegid.2018.05.005_bb0065","doi-asserted-by":"crossref","first-page":"8285","DOI":"10.1038\/s41598-017-08842-w","article-title":"Exploring Leishmania secretory proteins to design B and T cell multi-epitope subunit vaccine using immunoinformatics approach","volume":"7","author":"Khatoon","year":"2017","journal-title":"Sci. Rep."},{"key":"10.1016\/j.meegid.2018.05.005_bb0070","series-title":"Handbook of Antimicrobial Resistance","author":"Matthias Gotte","year":"2014"},{"key":"10.1016\/j.meegid.2018.05.005_bb0075","doi-asserted-by":"crossref","first-page":"452","DOI":"10.1016\/j.ejmech.2015.02.032","article-title":"(3Z)-3-(2-[4-(aryl)-1, 3-thiazol-2-yl] hydrazin-1-ylidene)-2, 3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase","volume":"93","author":"Meleddu","year":"2015","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.meegid.2018.05.005_bb0080","doi-asserted-by":"crossref","first-page":"1384","DOI":"10.1107\/S2053230X15017896","article-title":"Structure of the HIV-1 reverse transcriptase Q151M mutant: insights into the inhibitor resistance of HIV-1 reverse transcriptase and the structure of the nucleotide-binding pocket of Hepatitis B virus polymerase","volume":"71","author":"Nakamura","year":"2015","journal-title":"Acta. Crystallogr. F Struct. Biol. Commun."},{"key":"10.1016\/j.meegid.2018.05.005_bb0085","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1016\/j.molstruc.2014.12.090","article-title":"Synthesis, structure\u2013activity relationship and molecular docking of cyclohexenone based analogous as potent non-nucleoside reverse-transcriptase inhibitors","volume":"1086","author":"Nazar","year":"2015","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.meegid.2018.05.005_bb0090","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1080\/07391102.2015.1135298","article-title":"Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular dynamics simulation","volume":"35","author":"Pandey","year":"2017","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.meegid.2018.05.005_bb0095","doi-asserted-by":"crossref","first-page":"60","DOI":"10.3109\/10799893.2016.1171344","article-title":"Structure-based virtual screening, molecular docking, ADMET and molecular simulations to develop benzoxaborole analogs as potential inhibitor against Leishmania donovani trypanothione reductase","volume":"37","author":"Pandey","year":"2017","journal-title":"J. Recept. Signal Transduct."},{"key":"10.1016\/j.meegid.2018.05.005_bb0100","doi-asserted-by":"crossref","first-page":"813","DOI":"10.2174\/1386207319666160907100134","article-title":"Molecular modeling and virtual screening approach to discover potential Antileishmanial inhibitors against ornithine decarboxylase","volume":"19","author":"Pandey","year":"2016","journal-title":"Comb. Chem. High Throughput Screen."},{"key":"10.1016\/j.meegid.2018.05.005_bb0105","doi-asserted-by":"crossref","first-page":"2541","DOI":"10.1080\/07391102.2015.1085904","article-title":"Developing imidazole analogues as potential inhibitor for Leishmania donovani trypanothione reductase: virtual screening, molecular docking, dynamics and ADMET approach","volume":"33","author":"Pandey","year":"2015","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.meegid.2018.05.005_bb0110","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1016\/j.biopha.2016.06.010","article-title":"High-throughput virtual screening and quantum mechanics approach to develop imipramine analogues as leads against trypanothione reductase of leishmania","volume":"83","author":"Pandey","year":"2016","journal-title":"Biomed Pharmacother"},{"key":"10.1016\/j.meegid.2018.05.005_bb0115","doi-asserted-by":"crossref","first-page":"693","DOI":"10.1016\/j.jmb.2008.10.071","article-title":"Structure and function of HIV-1 reverse transcriptase: molecular mechanisms of polymerization and inhibition","volume":"385","author":"Sarafianos","year":"2009","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.meegid.2018.05.005_bb0120","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1007\/s10822-013-9644-8","article-title":"Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments","volume":"27","author":"Sastry","year":"2013","journal-title":"J. Comput. Aided Mol. Des."},{"key":"10.1016\/j.meegid.2018.05.005_bb0125","article-title":"Identification of potential inhibitors of Fasciola gigantica thioredoxin1: computational screening, molecular dynamics simulation, and binding free energy studies","volume":"1-16","author":"Shukla","year":"2017","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.meegid.2018.05.005_bb0130","article-title":"Structure-based screening and molecular dynamics simulations offer novel natural compounds as potential inhibitors of Mycobacterium tuberculosis isocitrate lyase","volume":"1-13","author":"Shukla","year":"2017","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.meegid.2018.05.005_bb0135","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.meegid.2018.05.005_bb0140","doi-asserted-by":"crossref","first-page":"1274","DOI":"10.3389\/fmicb.2016.01274","article-title":"Circulating MicroRNAs: potential and emerging biomarkers for diagnosis of human infectious diseases","volume":"7","author":"Verma","year":"2016","journal-title":"Front. Microbiol."},{"key":"10.1016\/j.meegid.2018.05.005_bb0145","doi-asserted-by":"crossref","DOI":"10.7448\/IAS.16.1.18466","article-title":"Disclosure of HIV status to children in resource-limited settings: a systematic review","volume":"16","author":"Vreeman","year":"2013","journal-title":"J. Int. AIDS Soc."},{"key":"10.1016\/j.meegid.2018.05.005_bb0150","doi-asserted-by":"crossref","first-page":"4248","DOI":"10.1016\/j.bmc.2015.06.048","article-title":"Hybrid chemistry. Part 4: discovery of etravirine-VRX-480773 hybrids as potent HIV-1 non-nucleoside reverse transcriptase inhibitors","volume":"23","author":"Wan","year":"2015","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.meegid.2018.05.005_bb0155","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.ejmech.2015.04.050","article-title":"Discovery of piperidin-4-yl-aminopyrimidine derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors","volume":"97","author":"Wan","year":"2015","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.meegid.2018.05.005_bb0160","doi-asserted-by":"crossref","first-page":"1273","DOI":"10.1126\/science.8493571","article-title":"How does HIV cause AIDS?","volume":"260","author":"Weiss","year":"1993","journal-title":"Science"}],"container-title":["Infection, Genetics and Evolution"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1567134818302508?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1567134818302508?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,27]],"date-time":"2025-10-27T14:37:45Z","timestamp":1761575865000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1567134818302508"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,9]]},"references-count":32,"alternative-id":["S1567134818302508"],"URL":"https:\/\/doi.org\/10.1016\/j.meegid.2018.05.005","relation":{},"ISSN":["1567-1348"],"issn-type":[{"value":"1567-1348","type":"print"}],"subject":[],"published":{"date-parts":[[2018,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Chemical system biology based molecular interactions to identify inhibitors against Q151M mutant of HIV-1 reverse transcriptase","name":"articletitle","label":"Article Title"},{"value":"Infection, Genetics and Evolution","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.meegid.2018.05.005","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2018 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}]}}