{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T18:45:21Z","timestamp":1792176321876,"version":"4.4.0"},"reference-count":81,"publisher":"Informa UK Limited","issue":"3","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2026,2,11]]},"DOI":"10.1080\/07391102.2024.2428829","type":"journal-article","created":{"date-parts":[[2024,11,28]],"date-time":"2024-11-28T02:34:06Z","timestamp":1732761246000},"page":"1135-1157","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":4,"title":["Repurposing of DrugBank molecules as dual non-hydroxamate HDAC8 and HDAC2 inhibitors by pharmacophore modeling, molecular docking, and molecular dynamics studies"],"prefix":"10.1080","volume":"44","author":[{"given":"Kakali","family":"Sarkar","sequence":"first","affiliation":[{"name":"Molecular Genetics and Cancer Biology Laboratory, Department of Human Physiology, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3913-9048","authenticated-orcid":false,"given":"Sudhan","family":"Debnath","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Netaji Subhash Mahavidyalaya","place":["Gomati, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rajat","family":"Ghosh","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Deijy","family":"Choudhury","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kanak","family":"Chakraborty","sequence":"additional","affiliation":[{"name":"Molecular Genetics and Cancer Biology Laboratory, Department of Human Physiology, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Partha","family":"Saha","sequence":"additional","affiliation":[{"name":"Molecular Genetics and Cancer Biology Laboratory, Department of Human Physiology, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Achinta","family":"Singha","sequence":"additional","affiliation":[{"name":"Molecular Genetics and Cancer Biology Laboratory, Department of Human Physiology, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Addrita","family":"Nandi","sequence":"additional","affiliation":[{"name":"Molecular Genetics and Cancer Biology Laboratory, Department of Human Physiology, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bidhan","family":"Goswami","sequence":"additional","affiliation":[{"name":"Molecular Genetics and Cancer Biology Laboratory, Department of Human Physiology, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3891-5949","authenticated-orcid":false,"given":"Arabinda","family":"Ghosh","sequence":"additional","affiliation":[{"name":"Department of Molecular Biology and Bioinformatics, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6579-031X","authenticated-orcid":false,"given":"Samir Kumar","family":"Sil","sequence":"additional","affiliation":[{"name":"Molecular Genetics and Cancer Biology Laboratory, Department of Human Physiology, Tripura University","place":["Suryamaninagar, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2024,11,27]]},"reference":[{"key":"e_1_3_5_2_1","doi-asserted-by":"publisher","DOI":"10.3892\/or.2016.5280"},{"key":"e_1_3_5_3_1","doi-asserted-by":"publisher","DOI":"10.6026\/97320630015380"},{"key":"e_1_3_5_4_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10620-008-0601-7"},{"key":"e_1_3_5_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.canlet.2009.02.013"},{"key":"e_1_3_5_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky318"},{"key":"e_1_3_5_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.12.039"},{"key":"e_1_3_5_8_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-011-9517-y"},{"key":"e_1_3_5_9_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M803514200"},{"key":"e_1_3_5_10_1","doi-asserted-by":"publisher","DOI":"10.1109\/SC.2006.54"},{"key":"e_1_3_5_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2010.03.091"},{"key":"e_1_3_5_12_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11596-021-2389-z"},{"key":"e_1_3_5_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.oraloncology.2008.08.011"},{"key":"e_1_3_5_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-50825-6"},{"key":"e_1_3_5_15_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-53376-y"},{"key":"e_1_3_5_16_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-006-9087-6"},{"key":"e_1_3_5_17_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4938249"},{"key":"e_1_3_5_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"e_1_3_5_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm051256o"},{"key":"e_1_3_5_20_1","doi-asserted-by":"publisher","DOI":"10.1136\/gut.2009.180711"},{"key":"e_1_3_5_21_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-021-04703-6"},{"key":"e_1_3_5_22_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bcp.2012.06.002"},{"key":"e_1_3_5_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2022.133019"},{"key":"e_1_3_5_24_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrg2485"},{"key":"e_1_3_5_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"e_1_3_5_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b00933"},{"key":"e_1_3_5_27_1","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2012-07-441022"},{"key":"e_1_3_5_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2011.04.027"},{"key":"e_1_3_5_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.neuroscience.2018.02.026"},{"key":"e_1_3_5_30_1","doi-asserted-by":"publisher","DOI":"10.3760\/cma.j.issn.0529-5807.2012.07.008"},{"key":"e_1_3_5_31_1","doi-asserted-by":"publisher","DOI":"10.1038\/sj.cdd.4401567"},{"key":"e_1_3_5_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2023.03.016"},{"key":"e_1_3_5_33_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"e_1_3_5_34_1","doi-asserted-by":"publisher","DOI":"10.3390\/medsci7030051"},{"key":"e_1_3_5_35_1","doi-asserted-by":"publisher","DOI":"10.1155\/2014"},{"key":"e_1_3_5_36_1","doi-asserted-by":"publisher","DOI":"10.3390\/cells11193161"},{"key":"e_1_3_5_37_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms24021689"},{"key":"e_1_3_5_38_1","doi-asserted-by":"publisher","DOI":"10.1158\/1078-0432.CCR-08-1813"},{"key":"e_1_3_5_39_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0133302"},{"key":"e_1_3_5_40_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci900212v"},{"key":"e_1_3_5_41_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-013-9644-8"},{"key":"e_1_3_5_42_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2021.106588"},{"key":"e_1_3_5_43_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp003020w"},{"key":"e_1_3_5_44_1","doi-asserted-by":"publisher","DOI":"10.2174\/1871520616666161019143219"},{"key":"e_1_3_5_45_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.467468"},{"key":"e_1_3_5_46_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.463940"},{"key":"e_1_3_5_47_1","doi-asserted-by":"publisher","DOI":"10.1080\/00268970500404414"},{"key":"e_1_3_5_48_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.lfs.2019.116945"},{"key":"e_1_3_5_49_1","doi-asserted-by":"publisher","DOI":"10.2210\/pdb4BKX\/pdb"},{"key":"e_1_3_5_50_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12905-020-01083-6"},{"key":"e_1_3_5_51_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1365-2141.2010.08301.x"},{"key":"e_1_3_5_52_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.canlet.2013.03.003"},{"key":"e_1_3_5_53_1","doi-asserted-by":"publisher","DOI":"10.1158\/1078-0432.CCR-08-0684"},{"key":"e_1_3_5_54_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1RA05976A"},{"key":"e_1_3_5_55_1","doi-asserted-by":"publisher","DOI":"10.4155\/ppa.12.21"},{"key":"e_1_3_5_56_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm301769u"},{"key":"e_1_3_5_57_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2016.09.022"},{"key":"e_1_3_5_58_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b00104"},{"key":"e_1_3_5_59_1","doi-asserted-by":"publisher","DOI":"10.18632\/oncotarget.15969"},{"issue":"5","key":"e_1_3_5_60_1","first-page":"1213","article-title":"HDAC2 overexpression correlates with aggressive clinicopathological features and DNA-damage response pathway of breast cancer","volume":"7","author":"Shan W.","year":"2017","unstructured":"Shan, W., Jiang, Y., Yu, H., Huang, Q., Liu, L., Guo, X., Li, L., Mi, Q., Zhang, K., & Yang, Z. (2017). HDAC2 overexpression correlates with aggressive clinicopathological features and DNA-damage response pathway of breast cancer. American Journal of Cancer Research, 7(5), 1213\u20131226.","journal-title":"American Journal of Cancer Research"},{"key":"e_1_3_5_61_1","doi-asserted-by":"publisher","DOI":"10.2210\/pdb3MAX\/pdb"},{"key":"e_1_3_5_62_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2004.04.01"},{"key":"e_1_3_5_63_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-0463.2005.apm_04.x"},{"key":"e_1_3_5_64_1","doi-asserted-by":"publisher","DOI":"10.3892\/ijo.2015.3182"},{"key":"e_1_3_5_65_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2004.03.063"},{"key":"e_1_3_5_66_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2021.132291"},{"key":"e_1_3_5_67_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci100368t"},{"key":"e_1_3_5_68_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0273265"},{"key":"e_1_3_5_69_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2019.103522"},{"key":"e_1_3_5_70_1","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(96)00016-1"},{"key":"e_1_3_5_71_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12964-018-0231-4"},{"key":"e_1_3_5_72_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0404603101"},{"key":"e_1_3_5_73_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature10728"},{"key":"e_1_3_5_74_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2020.11.001"},{"key":"e_1_3_5_75_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1470-2045(08)70004-4"},{"key":"e_1_3_5_76_1","doi-asserted-by":"publisher","DOI":"10.1172\/JCI69738"},{"key":"e_1_3_5_77_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkx1037"},{"key":"e_1_3_5_78_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10620-013-2867-7"},{"key":"e_1_3_5_79_1","doi-asserted-by":"publisher","DOI":"10.1039\/c9ra02985k"},{"key":"e_1_3_5_80_1","doi-asserted-by":"publisher","DOI":"10.7314\/APJCP.2015.16.8.3543"},{"key":"e_1_3_5_81_1","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2017.1417274"},{"key":"e_1_3_5_82_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.gene.2017.09.034"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2024.2428829","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,5]],"date-time":"2026-03-05T16:26:08Z","timestamp":1772727968000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2024.2428829"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,11,27]]},"references-count":81,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2026,2,11]]}},"alternative-id":["10.1080\/07391102.2024.2428829"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2024.2428829","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,11,27]]},"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":"2023-09-06","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-04-11","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-11-27","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}