{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,27]],"date-time":"2026-05-27T19:46:37Z","timestamp":1779911197726,"version":"3.53.1"},"reference-count":50,"publisher":"Informa UK Limited","issue":"20","funder":[{"DOI":"10.13039\/100009122","name":"Ministry of Education (MoE), New Delhi, India","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100009122","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2023,12,21]]},"DOI":"10.1080\/07391102.2022.2158935","type":"journal-article","created":{"date-parts":[[2022,12,28]],"date-time":"2022-12-28T15:30:16Z","timestamp":1672241416000},"page":"10785-10797","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":9,"title":["Identification of potential death-associated protein kinase-1 (DAPK1) inhibitors by an integrated ligand-based and structure-based computational drug design approach"],"prefix":"10.1080","volume":"41","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2089-6003","authenticated-orcid":false,"given":"Powsali","family":"Ghosh","sequence":"first","affiliation":[{"name":"Pharmaceutical Chemistry Research Laboratory 1, Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (Banaras Hindu University)","place":["Varanasi, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2737-2205","authenticated-orcid":false,"given":"Ravi","family":"Singh","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Research Laboratory 1, Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (Banaras Hindu University)","place":["Varanasi, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2029-3424","authenticated-orcid":false,"given":"Ankit","family":"Ganeshpurkar","sequence":"additional","affiliation":[{"name":"Poona College of Pharmacy, Bharati Vidyapeeth (Deemed to be University)","place":["Pune, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rayala","family":"Swetha","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Research Laboratory 1, Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (Banaras Hindu University)","place":["Varanasi, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Devendra","family":"Kumar","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, DIT University","place":["Dehradun, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0473-5824","authenticated-orcid":false,"given":"Sushil Kumar","family":"Singh","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Research Laboratory 1, Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (Banaras Hindu University)","place":["Varanasi, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0561-9983","authenticated-orcid":false,"given":"Ashok","family":"Kumar","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Research Laboratory 1, Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (Banaras Hindu University)","place":["Varanasi, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2022,12,28]]},"reference":[{"key":"e_1_3_3_2_1","doi-asserted-by":"publisher","DOI":"10.7150\/ijbs.66760"},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"},{"key":"e_1_3_3_4_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky427"},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-022-10364-z"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijdevneu.2019.02.003"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq662"},{"key":"e_1_3_3_8_1","doi-asserted-by":"publisher","DOI":"10.1145\/1656274.1656280"},{"key":"e_1_3_3_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2016.06.007"},{"key":"e_1_3_3_10_1","doi-asserted-by":"crossref","first-page":"e047572","DOI":"10.1002\/alz.047572","article-title":"Novel Regulation of Death\u2010Associated Protein Kinase 1 in Alzheimer\u2019s Disease: Developing Topics","volume":"16","author":"Chen D.","year":"2020","unstructured":"Chen, D., Mei, Y., Lan, G., Gan, C.-L., Zhang, T., Xia, Y., Wang, L., & Lee, T. H. (2020). Novel Regulation of Death\u2010Associated Protein Kinase 1 in Alzheimer\u2019s Disease: Developing Topics. Alzheimer\u2019s & Dementia, 16, e047572.","journal-title":"Alzheimer\u2019s & Dementia"},{"key":"e_1_3_3_11_1","doi-asserted-by":"publisher","DOI":"10.2174\/1574892814666181218170257"},{"key":"e_1_3_3_12_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444909042073"},{"key":"e_1_3_3_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkm216"},{"key":"e_1_3_3_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm000292e"},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja1112996"},{"key":"e_1_3_3_17_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-7756-7_6"},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2019.1682572"},{"key":"e_1_3_3_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2022.01.136"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/cc9800071"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12035-018-1312-5"},{"key":"e_1_3_3_22_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-7756-7_13"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0068-4"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-803752-2.00011-9"},{"key":"e_1_3_3_25_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms20133131"},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-7756-7_9"},{"key":"e_1_3_3_27_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm015507e"},{"key":"e_1_3_3_28_1","unstructured":"Nath M. & Goswami S. (2021). Toxicity detection in drug candidates using simplified molecular-input line-entry system. arXiv preprint arXiv:2101.10831"},{"key":"e_1_3_3_29_1","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1002\/0471141755.ph0912s49"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"e_1_3_3_32_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkg520"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-0716-0607-0_6"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.3389\/fnmol.2016.00046"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2019.1635530"},{"key":"e_1_3_3_36_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2101529"},{"key":"e_1_3_3_37_1","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.26731.1"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00559"},{"key":"e_1_3_3_39_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1008667"},{"key":"e_1_3_3_40_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw287"},{"key":"e_1_3_3_41_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-7756-7_1"},{"key":"e_1_3_3_42_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm020017n"},{"key":"e_1_3_3_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0960-894X(03)00733-9"},{"key":"e_1_3_3_44_1","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.201402512"},{"key":"e_1_3_3_45_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12035-018-1242-2"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b00893"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.1107\/S2052252520015614"},{"key":"e_1_3_3_48_1","doi-asserted-by":"publisher","DOI":"10.1038\/cdd.2016.114"},{"key":"e_1_3_3_49_1","doi-asserted-by":"publisher","DOI":"10.1007\/s42514-021-00086-5"},{"key":"e_1_3_3_50_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm301916b"},{"key":"e_1_3_3_51_1","doi-asserted-by":"publisher","DOI":"10.1177\/2472555219873557"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2022.2158935","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,4]],"date-time":"2025-06-04T06:52:51Z","timestamp":1749019971000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2022.2158935"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,12,28]]},"references-count":50,"journal-issue":{"issue":"20","published-print":{"date-parts":[[2023,12,21]]}},"alternative-id":["10.1080\/07391102.2022.2158935"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2022.2158935","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,12,28]]},"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":"2022-07-28","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-12-10","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-12-28","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}