{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T09:56:01Z","timestamp":1790762161342,"version":"4.1.0"},"reference-count":37,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2026,8,30]],"date-time":"2026-08-30T00:00:00Z","timestamp":1788048000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,8,30]],"date-time":"2026-08-30T00:00:00Z","timestamp":1788048000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chem Biol Drug Des"],"published-print":{"date-parts":[[2026,9]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    The anticancer efficacy of 4\u2010aryl\u20102\u2010hydrazinothiazole derivatives, which combine a thiazole known for its wide range of medicinal applications and a hydrazide\/hydrazone structure known for its unique biological properties, has been determined in numerous studies. In this study, novel 2\u2010[4\u2010[(2\u2010(4\u2010substituted thiazol\u20102\u2010yl)hydrazono)methyl]phenoxy]acetic acid derivatives (\n                    <jats:bold>2a\u2013l<\/jats:bold>\n                    ) were synthesized and evaluated for their anticancer activity in MCF\u20107 breast cancer, A549 lung cancer, and L929 normal cell lines using cytotoxicity, apoptosis, and caspase\u20103 activation assays. The compounds were found to exhibit high cytotoxicity, particularly showing more selective and high\u2010potential antiproliferative activity on the MCF\u20107 cell line. In apoptosis studies, compounds\n                    <jats:bold>2c<\/jats:bold>\n                    ,\n                    <jats:bold>2d<\/jats:bold>\n                    , and\n                    <jats:bold>2h<\/jats:bold>\n                    caused programmed cell death in MCF\u20107 cells exceeding 24%, close to cisplatin. Among these compounds, the derivative\n                    <jats:bold>2c<\/jats:bold>\n                    containing 4\u2010methoxyphenyl caused caspase\u20103 activation at a level similar to cisplatin. To conduct in silico studies of the compounds, molecular docking studies with the (4QTX) caspase\u20103 enzyme, molecular dynamics simulation for three compounds (\n                    <jats:bold>2d<\/jats:bold>\n                    ,\n                    <jats:bold>2g<\/jats:bold>\n                    and\n                    <jats:bold>2l<\/jats:bold>\n                    ), and Density Functional Theory (DFT) studies were performed. These studies have shown that the carboxylate groups in the compounds form strong and stable interactions with Arg64 and Arg207.\n                  <\/jats:p>","DOI":"10.1111\/cbdd.70387","type":"journal-article","created":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T04:23:44Z","timestamp":1788150224000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Investigation of the In\u00a0Vitro and In Silico Anticancer Potential of Novel 4\u2010Arylthiazole\u2010Hydrazone Derivatives"],"prefix":"10.1111","volume":"108","author":[{"given":"Zeynep Zi\u015fan","family":"Demirci","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Institute of Graduate Education Anadolu University  Eski\u015fehir Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7391-6157","authenticated-orcid":false,"given":"Erol","family":"Akg\u00fcn","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Institute of Graduate Education Anadolu University  Eski\u015fehir Turkey"},{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy Marmara University  \u0130stanbul Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9535-2508","authenticated-orcid":false,"given":"G\u00fcl\u015fen Akal\u0131n","family":"\u00c7ift\u00e7i","sequence":"additional","affiliation":[{"name":"Department of Biohemistry, Faculty of Pharmacy Anadolu University  Eski\u015fehir Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0957-6044","authenticated-orcid":false,"given":"Leyla","family":"Yurtta\u015f","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy Anadolu University  Eski\u015fehir Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,8,30]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2015.04.015"},{"key":"e_1_2_10_4_1","volume-title":"ProLIF (Version 2.0.3) [Computer Software]","author":"Bouysset C.","year":"2024"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-021-00548-6"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.3322\/caac.21834"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0960-894X(99)00157-2"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0122270"},{"key":"e_1_2_10_9_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10616\u2010015\u20109877\u20106"},{"key":"e_1_2_10_10_1","volume-title":"GaussView, Version 6","author":"Dennington R.","year":"2016"},{"key":"e_1_2_10_11_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00203"},{"key":"e_1_2_10_12_1","doi-asserted-by":"publisher","DOI":"10.1080\/01926230701320337"},{"key":"e_1_2_10_13_1","doi-asserted-by":"publisher","DOI":"10.33808\/clinexphealthsci.1414252"},{"key":"e_1_2_10_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.BIOORG.2020.103761"},{"key":"e_1_2_10_15_1","volume-title":"Gaussian 16, Revision C.01","author":"Frisch M. 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