{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T06:13:56Z","timestamp":1767852836008,"version":"3.49.0"},"reference-count":65,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2019,1,1]],"date-time":"2019-01-01T00:00:00Z","timestamp":1546300800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2019,1,1]],"date-time":"2019-01-01T00:00:00Z","timestamp":1546300800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"funder":[{"DOI":"10.13039\/501100001409","name":"Department of Science and Technology","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001409","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001412","name":"Council of Scientific and Industrial Research","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001412","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Graphics and Modelling"],"published-print":{"date-parts":[[2019,1]]},"DOI":"10.1016\/j.jmgm.2018.09.013","type":"journal-article","created":{"date-parts":[[2018,9,26]],"date-time":"2018-09-26T23:41:08Z","timestamp":1538005268000},"page":"1-18","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":6,"special_numbering":"C","title":["Pharmacoinformatics analysis of merbarone binding site in human topoisomerase II\u03b1"],"prefix":"10.1016","volume":"86","author":[{"given":"Neha","family":"Tripathi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sankar K.","family":"Guchhait","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Prasad V.","family":"Bharatam","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.jmgm.2018.09.013_bib1","doi-asserted-by":"crossref","first-page":"635","DOI":"10.1146\/annurev.bi.65.070196.003223","article-title":"DNA topoisomerases","volume":"65","author":"Wang","year":"1996","journal-title":"Annu. Rev. Biochem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib2","doi-asserted-by":"crossref","first-page":"369","DOI":"10.1146\/annurev.biochem.70.1.369","article-title":"DNA topoisomerases: structure, function, and mechanism","volume":"70","author":"Champoux","year":"2001","journal-title":"Annu. Rev. Biochem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib3","doi-asserted-by":"crossref","first-page":"1534","DOI":"10.1126\/science.279.5356.1534","article-title":"A\u00a0model for the mechanism of human topoisomerase I","volume":"279","author":"Stewart","year":"1998","journal-title":"Science"},{"key":"10.1016\/j.jmgm.2018.09.013_bib4","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1017\/S0033583598003424","article-title":"Moving one DNA double helix through another by a type II DNA topoisomerase: the story of a simple molecular machine","volume":"31","author":"Wang","year":"1998","journal-title":"Q.\u00a0Rev. Biophys."},{"key":"10.1016\/j.jmgm.2018.09.013_bib5","doi-asserted-by":"crossref","first-page":"5013","DOI":"10.1021\/jm200235u","article-title":"N-Fused imidazoles as novel anticancer agents that inhibit catalytic activity of topoisomerase II\u03b1 and induce apoptosis in G1\/S phase","volume":"54","author":"Baviskar","year":"2011","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib6","first-page":"209","article-title":"Proliferation-and cell cycle-dependent differences in expression of the 170 kilodalton and 180 kilodalton forms of topoisomerase II in NIH-3T3 cells","volume":"2","author":"Woessner","year":"1991","journal-title":"Cell Growth Differ."},{"key":"10.1016\/j.jmgm.2018.09.013_bib7","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/S0167-4781(98)00131-6","article-title":"Physiological regulation of eukaryotic topoisomerase II","volume":"1400","author":"Isaacs","year":"1998","journal-title":"Biochim. Biophys. Acta Gene Struct. Expr."},{"key":"10.1016\/j.jmgm.2018.09.013_bib8","doi-asserted-by":"crossref","first-page":"7406","DOI":"10.1074\/jbc.M212056200","article-title":"A\u00a0two-drug model for etoposide action against human topoisomerase II\u03b1","volume":"278","author":"Bromberg","year":"2003","journal-title":"J.\u00a0Biol. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib9","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/j.mrfmmm.2007.06.009","article-title":"DNA topoisomerase II, genotoxicity, and cancer","volume":"623","author":"McClendon","year":"2007","journal-title":"Mutat. Res."},{"key":"10.1016\/j.jmgm.2018.09.013_bib10","first-page":"230","article-title":"Topoisomerase II\u03b1, rather than II\u03b2, is a promising target in developemnt of anti-cancer drugs","volume":"6","author":"Chen","year":"2012","journal-title":"Drug Discov. Ther."},{"key":"10.1016\/j.jmgm.2018.09.013_bib11","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1016\/S0163-7258(03)00058-5","article-title":"Catalytic topoisomerase II inhibitors in cancer therapy","volume":"99","author":"Larsen","year":"2003","journal-title":"Pharmacol. Ther."},{"key":"10.1016\/j.jmgm.2018.09.013_bib12","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/S0167-4781(98)00133-X","article-title":"Catalytic inhibitors of DNA topoisomerase II","volume":"1400","author":"Andoh","year":"1998","journal-title":"Biochim. Biophys. Acta"},{"key":"10.1016\/j.jmgm.2018.09.013_bib13","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1093\/oxfordjournals.annonc.a058121","article-title":"Therapy-related acute myeloid leukemia secondary to inhibitors of topoisomerase II: from the bedside to the target genes","volume":"3","author":"Ratain","year":"1992","journal-title":"Ann. Oncol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib14","first-page":"1173","article-title":"Topoisomerase II inhibitors in cancer treatment","volume":"3","author":"Thakur","year":"2011","journal-title":"Int. J. Pharm. Sci. Nanotechnol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib15","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1021\/cb300648v","article-title":"Drugging topoisomerases: lessons and challenges","volume":"8","author":"Pommier","year":"2013","journal-title":"ACS Chem. Biol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib16","doi-asserted-by":"crossref","first-page":"8154","DOI":"10.1021\/bi00446a029","article-title":"Biochemical and pharmacological properties of p170 and p180 forms of topoisomerase II","volume":"28","author":"Drake","year":"1989","journal-title":"Biochemistry"},{"key":"10.1016\/j.jmgm.2018.09.013_bib17","doi-asserted-by":"crossref","first-page":"2047","DOI":"10.1016\/0006-2952(85)90335-1","article-title":"5-(N-phenylcarboxamido)-2-thiobarbituric acid (NSC 336628), a novel potential antitumor agent","volume":"34","author":"Brewer","year":"1985","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib18","doi-asserted-by":"crossref","first-page":"3395","DOI":"10.1016\/0006-2952(85)90368-5","article-title":"Initial mechanistic studies with merbarone (NSC 336628)","volume":"34","author":"Cooney","year":"1985","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib19","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1007\/BF00203538","article-title":"Merbarone: an antitumor agent entering clinical trials","volume":"5","author":"Glover","year":"1987","journal-title":"Invest. New Drugs"},{"key":"10.1016\/j.jmgm.2018.09.013_bib20","first-page":"1151","article-title":"Phase I clinical and pharmacological study of merbarone","volume":"50","author":"Dimaggio","year":"1990","journal-title":"Cancer Res."},{"key":"10.1016\/j.jmgm.2018.09.013_bib21","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1007\/BF00692349","article-title":"Nephrotoxicity of 5-(N-phenylcarboxamido)-2-thiobarbituric acid in the Fischer 344 rat","volume":"25","author":"Nakagawa","year":"1989","journal-title":"Cancer Chemother. Pharmacol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib22","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1007\/BF00872863","article-title":"Evaluation of merbarone (NSC 336628) in disseminated malignant melanoma","volume":"13","author":"Slavik","year":"1995","journal-title":"Invest. New Drugs"},{"key":"10.1016\/j.jmgm.2018.09.013_bib23","doi-asserted-by":"crossref","first-page":"17643","DOI":"10.1074\/jbc.273.28.17643","article-title":"Merbarone inhibits the catalytic activity of human topoisomerase II\u03b1 by blocking DNA cleavage","volume":"273","author":"Fortune","year":"1998","journal-title":"J.\u00a0Biol. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib24","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1021\/acsmedchemlett.5b00040","article-title":"Switch in site of inhibition: a strategy for structure-based discovery of human topoisomerase II\u03b1 catalytic inhibitors","volume":"6","author":"Baviskar","year":"2015","journal-title":"ACS Med. Chem. Lett."},{"key":"10.1016\/j.jmgm.2018.09.013_bib25","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1016\/j.jmgm.2017.01.015","article-title":"Identification of potent virtual leads and ADME prediction of isoxazolidine podophyllotoxin derivatives as topoisomerase II and tubulin inhibitors","volume":"73","author":"Bkhaitan","year":"2017","journal-title":"J.\u00a0Mol. Graph. Model."},{"key":"10.1016\/j.jmgm.2018.09.013_bib26","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1016\/j.jmgm.2016.11.019","article-title":"Computational analysis of Amsacrine resistance in human topoisomerase II alpha mutants (R487K and E571K) using homology modeling, docking and all-atom molecular dynamics simulation in explicit solvent","volume":"72","author":"Sader","year":"2017","journal-title":"J.\u00a0Mol. Graph. Model."},{"key":"10.1016\/j.jmgm.2018.09.013_bib27","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/j.jmgm.2013.01.010","article-title":"Pharmacophore modeling, virtual screening, docking and in silico ADMET analysis of protein kinase B (PKB \u03b2) inhibitors","volume":"42","author":"Vyas","year":"2013","journal-title":"J.\u00a0Mol. Graph. Model."},{"key":"10.1016\/j.jmgm.2018.09.013_bib28","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/j.jmb.2012.07.014","article-title":"The structure of DNA-bound human topoisomerase II alpha: conformational mechanisms for coordinating inter-subunit interactions with DNA cleavage","volume":"424","author":"Wendorff","year":"2012","journal-title":"J.\u00a0Mol. Biol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib29","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","article-title":"The protein data bank","volume":"28","author":"Berman","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.jmgm.2018.09.013_bib30","doi-asserted-by":"crossref","first-page":"459","DOI":"10.1126\/science.1204117","article-title":"Structural basis of type II topoisomerase inhibition by the anticancer drug etoposide","volume":"333","author":"Wu","year":"2011","journal-title":"Science"},{"key":"10.1016\/j.jmgm.2018.09.013_bib31","doi-asserted-by":"crossref","first-page":"3.13.1","DOI":"10.1002\/0471250953.bi0313s48","article-title":"Clustal omega","volume":"48","author":"Sievers","year":"2014","journal-title":"Curr. Protoc. Bioinform."},{"key":"10.1016\/j.jmgm.2018.09.013_bib32","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1006\/jmbi.1993.1626","article-title":"Comparative protein modelling by satisfaction of spatial restraints","volume":"5","author":"Sali","year":"1993","journal-title":"J.\u00a0Mol. Biol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib33","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1007\/978-1-60327-058-8_8","article-title":"Protein structure modeling with MODELLER","volume":"426","author":"Eswar","year":"2008","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib34","doi-asserted-by":"crossref","first-page":"2507","DOI":"10.1110\/ps.062416606","article-title":"Statistical potential for assessment and prediction of protein structures","volume":"15","author":"Shen","year":"2006","journal-title":"Protein Sci."},{"key":"10.1016\/j.jmgm.2018.09.013_bib35","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1146\/annurev.biophys.29.1.291","article-title":"Comparative protein structure modeling of genes and genomes","volume":"29","author":"Mart\u00ed-Renom","year":"2000","journal-title":"Annu. Rev. Biophys. Biomol. Struct."},{"key":"10.1016\/j.jmgm.2018.09.013_bib36","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1016\/S0022-2836(63)80023-6","article-title":"Stereochemistry of polypeptide chain configurations","volume":"7","author":"Ramachandran","year":"1963","journal-title":"J.\u00a0Mol. Biol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib37","doi-asserted-by":"crossref","first-page":"1511","DOI":"10.1002\/pro.5560020916","article-title":"Verification of protein structures: patterns of nonbonded atomic interactions","volume":"2","author":"Colovos","year":"1993","journal-title":"Protein Sci."},{"key":"10.1016\/j.jmgm.2018.09.013_bib38","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","article-title":"ZINC- A free database of commercially available compounds for virtual screening","volume":"45","author":"Irwin","year":"2005","journal-title":"J.\u00a0Chem. Inf. Model."},{"key":"10.1016\/j.jmgm.2018.09.013_bib39","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"23","author":"Lipinski","year":"1997","journal-title":"Adv. Drug Deliv. Rev."},{"key":"10.1016\/j.jmgm.2018.09.013_bib40","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1021\/cc9800071","article-title":"A\u00a0knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases","volume":"1","author":"Ghose","year":"1999","journal-title":"J.\u00a0Comb. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib41","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/jm020017n","article-title":"Molecular properties that influence the oral bioavailability of drug candidates","volume":"45","author":"Veber","year":"2002","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib42","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1023\/A:1008130001697","article-title":"Property distribution of drug-related chemical databases","volume":"14","author":"Oprea","year":"2000","journal-title":"J.\u00a0Comput. Aided Mol. Des."},{"key":"10.1016\/j.jmgm.2018.09.013_bib43","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/S0169-409X(02)00005-4","article-title":"Computational approaches to the prediction of the blood\u2013brain distribution","volume":"54","author":"Norinder","year":"2002","journal-title":"Adv. Drug Deliv. Rev."},{"key":"10.1016\/j.jmgm.2018.09.013_bib44","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1038\/nchem.1243","article-title":"Quantifying the chemical beauty of drugs","volume":"4","author":"Bickerton","year":"2012","journal-title":"Nat. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib45","series-title":"AMBER 12","author":"Case","year":"2012"},{"key":"10.1016\/j.jmgm.2018.09.013_bib46","doi-asserted-by":"crossref","first-page":"132","DOI":"10.1002\/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P","article-title":"Fast, efficient generation of high-quality atomic charges. AM1-BCC model. I. Method","volume":"21","author":"Jakalian","year":"2000","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib47","doi-asserted-by":"crossref","first-page":"712","DOI":"10.1002\/prot.21123","article-title":"Comparison of multiple Amber force fields and development of improved protein backbone parameters","volume":"65","author":"Hornak","year":"2006","journal-title":"Proteins"},{"key":"10.1016\/j.jmgm.2018.09.013_bib48","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","article-title":"Development and testing of a general amber force field","volume":"25","author":"Wang","year":"2004","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib49","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J.\u00a0Chem. Phys."},{"key":"10.1016\/j.jmgm.2018.09.013_bib50","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle mesh Ewald: an N.Log (N) method for Ewald sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J.\u00a0Chem. Phys."},{"key":"10.1016\/j.jmgm.2018.09.013_bib51","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1021\/ar000033j","article-title":"Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models","volume":"33","author":"Kollman","year":"2000","journal-title":"Acc. Chem. Res."},{"key":"10.1016\/j.jmgm.2018.09.013_bib52","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: Visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J.\u00a0Mol. Graph."},{"key":"10.1016\/j.jmgm.2018.09.013_bib53","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1016\/S0026-895X(25)09603-8","article-title":"Drug sensitivity and sequence specificity of human recombinant DNA topoisomerases IIalpha (p170) and IIbeta (p180)","volume":"50","author":"Cornarotti","year":"1996","journal-title":"Mol. Pharmacol."},{"key":"10.1016\/j.jmgm.2018.09.013_bib54","series-title":"Topoisomerase Inhibitors: Classification, Mechanisms of Action and Adverse Effects","first-page":"49","article-title":"Pharmacoinformatics studies on human topoisomerase II: exploring the mechanism of enzyme inhibition","author":"Tripathi","year":"2017"},{"key":"10.1016\/j.jmgm.2018.09.013_bib55","doi-asserted-by":"crossref","first-page":"2145","DOI":"10.1021\/ct300177r","article-title":"DNA bending through large angles is aided by ionic screening","volume":"8","author":"Spiriti","year":"2012","journal-title":"J.\u00a0Chem. Theory Comput."},{"key":"10.1016\/j.jmgm.2018.09.013_bib56","doi-asserted-by":"crossref","first-page":"1201","DOI":"10.1038\/nature06396","article-title":"Structural basis for gate-DNA recognition and bending by type IIA topoisomerases","volume":"450","author":"Dong","year":"2007","journal-title":"Nature"},{"key":"10.1016\/j.jmgm.2018.09.013_bib57","doi-asserted-by":"crossref","first-page":"141","DOI":"10.2174\/0929867003375317","article-title":"Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry","volume":"7","author":"Ooms","year":"2000","journal-title":"Curr. Med. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib58","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1016\/S0169-409X(02)00003-0","article-title":"Prediction of \u2018drug-likeness\u2019","volume":"54","author":"Walters","year":"2002","journal-title":"Adv. Drug Deliv. Rev."},{"key":"10.1016\/j.jmgm.2018.09.013_bib59","doi-asserted-by":"crossref","first-page":"3867","DOI":"10.1021\/jm000292e","article-title":"Prediction of drug absorption using multivariate statistics","volume":"43","author":"Egan","year":"2000","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib60","first-page":"565","article-title":"4-Hydroxy-2-quinolones 144. Alkyl-, arylalkyl-, and arylamides of 2-hydroxy-4-oxo-4H-pyrido [1, 2-a] pyrimidine-3-carboxylic acid and their diuretic properties, Chem. Heterocycl.","volume":"44","author":"Ukrainets","year":"2008","journal-title":"Compd."},{"key":"10.1016\/j.jmgm.2018.09.013_bib61","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/S1574-1400(08)00012-1","article-title":"PubChem: integrated platform of small molecules and biological activities","volume":"4","author":"Bolton","year":"2008","journal-title":"Annu. Rep. Comput. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib62","doi-asserted-by":"crossref","first-page":"W623","DOI":"10.1093\/nar\/gkp456","article-title":"PubChem: a public information system for analyzing bioactivities of small molecules","volume":"37","author":"Wang","year":"2009","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.jmgm.2018.09.013_bib63","first-page":"1509","article-title":"Differences in inhibition of chromosome separation and G2 arrest by DNA topoisomerase II inhibitors merbarone and VM-26","volume":"55","author":"Chen","year":"1995","journal-title":"Cancer Res."},{"key":"10.1016\/j.jmgm.2018.09.013_bib64","doi-asserted-by":"crossref","first-page":"2575","DOI":"10.1016\/S0968-0896(03)00158-5","article-title":"Synthesis and antiproliferative activity of basic thioanalogues of merbarone","volume":"11","author":"Ranise","year":"2003","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.jmgm.2018.09.013_bib65","first-page":"2578","article-title":"In\u00a0vitro and intracellular inhibition of topoisomerase II by the antitumor agent merbarone","volume":"49","author":"Drake","year":"1989","journal-title":"Cancer Res."}],"container-title":["Journal of Molecular Graphics and Modelling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326318300901?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326318300901?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,21]],"date-time":"2025-10-21T20:58:20Z","timestamp":1761080300000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1093326318300901"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,1]]},"references-count":65,"alternative-id":["S1093326318300901"],"URL":"https:\/\/doi.org\/10.1016\/j.jmgm.2018.09.013","relation":{},"ISSN":["1093-3263"],"issn-type":[{"value":"1093-3263","type":"print"}],"subject":[],"published":{"date-parts":[[2019,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Pharmacoinformatics analysis of merbarone binding site in human topoisomerase II\u03b1","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Graphics and Modelling","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmgm.2018.09.013","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2018 Elsevier Inc. All rights reserved.","name":"copyright","label":"Copyright"}]}}