{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T21:43:07Z","timestamp":1790631787437,"version":"4.1.0"},"reference-count":86,"publisher":"Wiley","issue":"14","license":[{"start":{"date-parts":[[2026,7,16]],"date-time":"2026-07-16T00:00:00Z","timestamp":1784160000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,7,16]],"date-time":"2026-07-16T00:00:00Z","timestamp":1784160000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemMedChem"],"published-print":{"date-parts":[[2026,7,29]]},"abstract":"<jats:p>\n                    A series of (2\u2010((6\u2010benzo[\n                    <jats:italic>d<\/jats:italic>\n                    ]thiazol\u20102\u2010yl)amino)\u20102\u2010oxoethyl)triphenylphosphonium (TPP) derivatives (\n                    <jats:bold>4a<\/jats:bold>\n                    <jats:bold>\u2013<\/jats:bold>\n                    <jats:bold>f<\/jats:bold>\n                    ) was synthesised and evaluated in a colorectal cancer (CRC) cell model. Compounds were obtained in high yields via acylation of aminobenzothiazoles with chloroacetyl chloride, followed by quaternization with triphenylphosphine. A computer\u2010aided drug\u2010design approach combining quantitative structure\u2013activity relationship, molecular docking, and molecular dynamics simulations was used to guide prioritization and explore putative protein\u2013ligand interactions in silico. Antiproliferative effects of conjugates\n                    <jats:bold>4a\u2013f<\/jats:bold>\n                    on cell viability were assessed in HT\u201029 human CRC cells (mutant p53 model), using a resazurin viability assay. Compounds\n                    <jats:bold>4b<\/jats:bold>\n                    and\n                    <jats:bold>4c<\/jats:bold>\n                    showed concentration\u2010responsive activity, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 174 and 153\u2009\u00b5M, respectively, identifying them as the most active derivatives in this preliminary phenotypic screen. Gene expression analysis showed upregulation of p21 mRNA, while MDM2 mRNA showed minimal changes, providing preliminary transcript\u2010level observations in response to compound exposure. As all assays were performed in p53\u2010mutant HT\u201029 cells, these effects are interpreted as exploratory stress\u2010related responses rather than evidence of wild\u2010type p53 pathway reactivation or direct inhibition of the p53\u2013MDM2 interaction. The study provides an integrated workflow combining synthesis of an unreported benzothiazole\u2013TPP scaffold, computational prioritization, and preliminary biological evaluation. Despite modest antiproliferative activity, results identify initial structure\u2013activity trends within the series, establishing a foundation for future optimisation.\n                  <\/jats:p>","DOI":"10.1002\/cmdc.70382","type":"journal-article","created":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T01:35:36Z","timestamp":1784252136000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Benzothiazole\u2013Triphenylphosphonium Conjugates: Synthesis, In\u2009Silico Analysis, and Exploratory In\u2009Vitro Effects on HT\u201029 Colorectal Cancer Cell Viability"],"prefix":"10.1002","volume":"21","author":[{"given":"Fatima E.","family":"Laghchioua","sequence":"first","affiliation":[{"name":"Laboratory of Molecular Chemistry, Materials and Catalysis Faculty of Sciences and Technics Sultan Moulay Slimane University  Beni\u2010Mellal Morocco"},{"name":"LAQV\u2010REQUIMTE Department of Chemistry University of Aveiro  Aveiro Portugal"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3201-0081","authenticated-orcid":false,"given":"Ana T. 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