{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,5]],"date-time":"2026-11-05T21:35:58Z","timestamp":1793914558922,"version":"4.8.0"},"reference-count":52,"publisher":"Informa UK Limited","issue":"10","license":[{"start":{"date-parts":[[2025,7,24]],"date-time":"2025-07-24T00:00:00Z","timestamp":1753315200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/doi.org\/10.1080\/policies-text-data-mining"}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2026,7,3]]},"DOI":"10.1080\/07391102.2025.2532095","type":"journal-article","created":{"date-parts":[[2025,7,24]],"date-time":"2025-07-24T07:51:51Z","timestamp":1753343511000},"page":"4918-4936","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":3,"title":["<i>In silico<\/i>\n                    and NMR studies on pharmaceutical compounds with therapeutic action against Myasthenia Gravis"],"prefix":"10.1080","volume":"44","author":[{"given":"Errikos","family":"Petsas","sequence":"first","affiliation":[{"name":"Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eleftherios","family":"Massios","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikitas","family":"Georgiou","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Antigoni","family":"Cheilari","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy and Natural Products Chemistry, Faculty of Pharmacy, National and Kapodistrian University of Athens","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Panagiotis Konstantinos","family":"Papadimitriou","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Margarita Georgia","family":"Kakava","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Chemistry and Biochemistry, Department of Chemistry, University of Patras","place":["Patras, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ektoras Vasileios","family":"Apostolou","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ioannis","family":"Angelonidis","sequence":"additional","affiliation":[{"name":"Laboratory of Biophysical Chemistry, Department of Chemistry, University of Crete","place":["Heraklion, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikolaos","family":"Eleftheriadis","sequence":"additional","affiliation":[{"name":"Laboratory of Biophysical Chemistry, Department of Chemistry, University of Crete","place":["Heraklion, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0899-7282","authenticated-orcid":false,"given":"Demeter","family":"Tzeli","sequence":"additional","affiliation":[{"name":"Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens","place":["Athens, Greece"]},{"name":"Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thomas","family":"Mavromoustakos","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens","place":["Athens, Greece"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2025,7,24]]},"reference":[{"key":"e_1_3_3_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202501513"},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2019.12.003"},{"key":"e_1_3_3_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2005.04.032"},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2016.05.007"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.1104\/pp.114.253591"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.11.073"},{"key":"e_1_3_3_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/14651858.CD000545.pub5"},{"key":"e_1_3_3_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm300871x"},{"key":"e_1_3_3_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(02)00286-2"},{"key":"e_1_3_3_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mrgentox.2021.503334"},{"key":"e_1_3_3_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b01121"},{"key":"e_1_3_3_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2016.07.010"},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201606876"},{"key":"e_1_3_3_15_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.2017356"},{"key":"e_1_3_3_17_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules29112458"},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27082537"},{"key":"e_1_3_3_19_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1197203"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2017.01.042"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.5010270"},{"key":"e_1_3_3_22_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-0536.1989.tb04734.x"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.2147\/AABC.S70333"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2020.01.008"},{"key":"e_1_3_3_25_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature23272"},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/j100078a035"},{"key":"e_1_3_3_27_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10847-021-01047-9"},{"key":"e_1_3_3_28_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-020-2223-y"},{"key":"e_1_3_3_29_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja9621760"},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm800310g"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(91)90724-k"},{"key":"e_1_3_3_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00163"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep39495"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.1111\/bjd.17345"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202418291"},{"key":"e_1_3_3_36_1","doi-asserted-by":"publisher","DOI":"10.1529\/biophysj.106.082941"},{"key":"e_1_3_3_37_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.467468"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00142"},{"key":"e_1_3_3_39_1","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2020.1740923"},{"key":"e_1_3_3_40_1","doi-asserted-by":"publisher","DOI":"10.1016\/0197-4580(96)00113-3"},{"key":"e_1_3_3_41_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.8b00357"},{"key":"e_1_3_3_42_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41594-018-0099-4"},{"key":"e_1_3_3_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0163-7258(02)00297-8"},{"key":"e_1_3_3_44_1","unstructured":"Schrodinger. (2013). L.L.C. MacroModel. Version 10."},{"key":"e_1_3_3_45_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biochem.69.1.145"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0710626105"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202402279"},{"key":"e_1_3_3_48_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pntd.0003781"},{"key":"e_1_3_3_49_1","doi-asserted-by":"publisher","DOI":"10.1162\/rest_a_00790"},{"key":"e_1_3_3_50_1","doi-asserted-by":"publisher","DOI":"10.1021\/ed101169t"},{"key":"e_1_3_3_51_1","doi-asserted-by":"publisher","DOI":"10.3109\/14756366.2014.951348"},{"key":"e_1_3_3_52_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2010.07.054"},{"key":"e_1_3_3_53_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.161301298"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2025.2532095","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.tandfonline.com\/doi\/full-xml\/10.1080\/07391102.2025.2532095","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2025.2532095","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T23:05:46Z","timestamp":1782860746000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2025.2532095"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,7,24]]},"references-count":52,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2026,7,3]]}},"alternative-id":["10.1080\/07391102.2025.2532095"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2025.2532095","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,7,24]]},"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":"2025-03-11","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-07-06","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-07-24","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}