{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,20]],"date-time":"2026-06-20T05:48:09Z","timestamp":1781934489608,"version":"3.54.5"},"reference-count":70,"publisher":"Informa UK Limited","issue":"1","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2024,1,2]]},"DOI":"10.1080\/07391102.2023.2192804","type":"journal-article","created":{"date-parts":[[2023,3,30]],"date-time":"2023-03-30T16:03:02Z","timestamp":1680192182000},"page":"362-383","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":10,"title":["Hydroxamic acid derivatives as selective HDAC3 inhibitors: computer-aided drug design strategies"],"prefix":"10.1080","volume":"42","author":[{"given":"Preeti","family":"Patel","sequence":"first","affiliation":[{"name":"Medicinal Chemistry Research Laboratory, Department of Pharmacy, Guru Ghasidas University, Bilaspur, Chhattisgarh, India"},{"name":"Department of Pharmaceutical Chemistry, ISF College of Pharmacy, Moga, Punjab, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sushant Kumar","family":"Shrivastava","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Engineering &amp; Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Piyoosh","family":"Sharma","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Engineering &amp; Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8470-6622","authenticated-orcid":false,"given":"Balak Das","family":"Kurmi","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutics, ISF College of Pharmacy, Moga, Punjab, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ekta","family":"Shirbhate","sequence":"additional","affiliation":[{"name":"Medicinal Chemistry Research Laboratory, Department of Pharmacy, Guru Ghasidas University, Bilaspur, Chhattisgarh, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Harish","family":"Rajak","sequence":"additional","affiliation":[{"name":"Medicinal Chemistry Research Laboratory, Department of Pharmacy, Guru Ghasidas University, Bilaspur, Chhattisgarh, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2023,3,30]]},"reference":[{"key":"e_1_3_3_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.08.081"},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.lungcan.2005.02.006"},{"key":"e_1_3_3_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(95)00042-E"},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1039\/b703830p"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23030551"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2017.11.092"},{"key":"e_1_3_3_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2018.06.016"},{"key":"e_1_3_3_9_1","unstructured":"ConfGen Schr\u00f6dinger. (2021). LLC."},{"key":"e_1_3_3_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2021.114049"},{"key":"e_1_3_3_11_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2074143"},{"key":"e_1_3_3_12_1","volume-title":"Software, version 4.1","author":"Discovery Studio.","year":"2014","unstructured":"Discovery Studio. (2014). Software, version 4.1. Accelrys Software Inc."},{"key":"e_1_3_3_13_1","volume-title":"D E Shaw research","author":"Desmond Molecular Dynamics System","year":"2018","unstructured":"Desmond Molecular Dynamics System. (2018). D E Shaw research. Maestro-Desmond Interoperability Tools; Schr\u00f6dinger."},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms18071414"},{"key":"e_1_3_3_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm051256o"},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"e_1_3_3_17_1","unstructured":"Glide (v3.4) Schr\u00f6dinger. (2012). LLC."},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1747-0285.2010.00951"},{"key":"e_1_3_3_19_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-014-2286-5"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci100275a"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2020.103797"},{"key":"e_1_3_3_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.8b01524"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2020.128177"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.4161\/cbt.6.5.4007"},{"key":"e_1_3_3_25_1","doi-asserted-by":"publisher","DOI":"10.4155\/fmc.10.6"},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/bkcs.12254"},{"key":"e_1_3_3_27_1","doi-asserted-by":"publisher","DOI":"10.1158\/1078-0432.CCR-14-3119"},{"key":"e_1_3_3_28_1","unstructured":"LigPrep version 2.5 Schrodinger. (2012). LLC."},{"key":"e_1_3_3_29_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-62703-342-8_1"},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2017.12.061"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(96)00423-1"},{"key":"e_1_3_3_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm060522a"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1634\/theoncologist.12-10-1247"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.467468"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbi.2022.109876"},{"key":"e_1_3_3_36_1","doi-asserted-by":"publisher","DOI":"10.1038\/leu.2013.231"},{"key":"e_1_3_3_37_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1791957"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2013.09.005"},{"key":"e_1_3_3_39_1","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2407-13-215"},{"key":"e_1_3_3_40_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm2001025"},{"key":"e_1_3_3_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2017.10.076"},{"key":"e_1_3_3_42_1","doi-asserted-by":"publisher","DOI":"10.25073\/2588-1132\/vnumps.4100"},{"key":"e_1_3_3_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2019.02.006"},{"key":"e_1_3_3_44_1","doi-asserted-by":"publisher","DOI":"10.2174\/1573409914666180502113135"},{"key":"e_1_3_3_45_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00044-018-2219-4"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.2174\/1386207319666160801154415"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.1c00413"},{"key":"e_1_3_3_48_1","unstructured":"QikProp Schr\u00f6dinger. (2021). LLC."},{"key":"e_1_3_3_49_1","first-page":"84","article-title":"Farydak (Panobinostat): First HDAC inhibitor approved for patients with relapsed multiple myeloma","volume":"9","author":"Raedler L. A.","year":"2016","unstructured":"Raedler, L. A. (2016). Farydak (Panobinostat): First HDAC inhibitor approved for patients with relapsed multiple myeloma. American Health & Drug Benefits, 9(Spec Feature), 84\u201387.","journal-title":"American Health & Drug Benefits"},{"key":"e_1_3_3_50_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1850355"},{"key":"e_1_3_3_51_1","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1240"},{"key":"e_1_3_3_52_1","doi-asserted-by":"publisher","DOI":"10.2174\/09298673113209990191"},{"key":"e_1_3_3_53_1","doi-asserted-by":"publisher","DOI":"10.1038\/ncb3629"},{"key":"e_1_3_3_54_1","volume-title":"Phase, version 3.4","author":"Schr\u00f6dinger.","year":"2012","unstructured":"Schr\u00f6dinger. (2012). Phase, version 3.4. Schrodinger, LLC."},{"key":"e_1_3_3_55_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct900587b"},{"key":"e_1_3_3_56_1","doi-asserted-by":"publisher","DOI":"10.2174\/1568009617666170630124643"},{"key":"e_1_3_3_57_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40203-021-00089-8"},{"key":"e_1_3_3_58_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2021.104808"},{"key":"e_1_3_3_59_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-0463.2005.apm_04.x"},{"key":"e_1_3_3_60_1","doi-asserted-by":"publisher","DOI":"10.1039\/c4cp03179b"},{"key":"e_1_3_3_61_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-323-90608-1.00001-0"},{"key":"e_1_3_3_62_1","doi-asserted-by":"publisher","DOI":"10.1002\/minf.202100223"},{"key":"e_1_3_3_63_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature10728"},{"key":"e_1_3_3_64_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci100015j"},{"key":"e_1_3_3_65_1","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2018.1437156"},{"key":"e_1_3_3_66_1","doi-asserted-by":"publisher","DOI":"10.15252\/emmm.201708478"},{"key":"e_1_3_3_67_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2017.08.029"},{"key":"e_1_3_3_68_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2010.03.013"},{"key":"e_1_3_3_69_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2014.08.030"},{"issue":"24","key":"e_1_3_3_70_1","first-page":"6890","article-title":"Transcriptional activation of estrogen receptor alpha in human breast cancer cells by histone deacetylase inhibition","volume":"60","author":"Yang X.","year":"2000","unstructured":"Yang, X., Ferguson, A. T., Nass, S. J., Phillips, D. L., Butash, K. A., Wang, S. M., Herman, J. G., & Davidson, N. E. (2000). Transcriptional activation of estrogen receptor alpha in human breast cancer cells by histone deacetylase inhibition. Cancer Research, 60(24), 6890\u20136894.","journal-title":"Cancer Research,"},{"key":"e_1_3_3_71_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2013.09.023"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2023.2192804","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,12,29]],"date-time":"2023-12-29T00:01:56Z","timestamp":1703808116000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2023.2192804"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,3,30]]},"references-count":70,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2024,1,2]]}},"alternative-id":["10.1080\/07391102.2023.2192804"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2023.2192804","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,3,30]]},"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":"2022-09-01","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-03-13","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-03-30","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}