{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,3]],"date-time":"2026-09-03T03:00:36Z","timestamp":1788404436317,"version":"build-2803163510"},"reference-count":59,"publisher":"MDPI AG","issue":"4","license":[{"start":{"date-parts":[[2026,2,18]],"date-time":"2026-02-18T00:00:00Z","timestamp":1771372800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002301","name":"Estonian Research Council","doi-asserted-by":"publisher","award":["COVSG5"],"award-info":[{"award-number":["COVSG5"]}],"id":[{"id":"10.13039\/501100002301","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Estonian Ministry of Education and Research and Education and Youth Board scholarship"},{"DOI":"10.13039\/100018227","name":"National Research Foundation of Ukraine","doi-asserted-by":"crossref","award":["2025.07\/0168"],"award-info":[{"award-number":["2025.07\/0168"]}],"id":[{"id":"10.13039\/100018227","id-type":"DOI","asserted-by":"crossref"}]},{"name":"European Union\u2019s Horizon Europe research and innovation program under the Marie Sk\u0142odowska-Curie","award":["101210683"],"award-info":[{"award-number":["101210683"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Sulfonylated 5-piperazine-substituted 1,3-oxazole-4-carbonitriles were synthesized and evaluated for in vitro anticancer activity. Cytotoxicity was assessed in hepatocellular (HepG2, Huh7), breast (MCF-7, MDA-MB-231), cervical (HeLa), melanoma (M21), and neuroblastoma (Kelly, SH-SY5Y) cell lines, with HEK293 cells used as a non-malignant control. Compounds 7a, 7b, and 8aa emerged as lead structures. Notably, compound 7b showed the highest activity in Kelly neuroblastoma cells (IC50 = 1.3 \u00b5M) while exhibiting low cytotoxicity toward HEK293 cells (IC50 &gt; 10 \u00b5M), indicating an improved selectivity profile relative to doxorubicin. In silico molecular docking suggested favorable interactions of the lead compounds with several cancer-associated proteins, with the highest predicted affinity observed for Aurora A kinase, along with additional predicted interactions with cyclin-dependent kinases. Predicted ADMET properties of compounds 7a, 7b, and 8aa compared favorably with doxorubicin, although the lead compounds were not readily biodegradable under OECD 301D conditions. Overall, these findings identify oxazole-4-carbonitriles as promising anticancer candidates with a putative kinase-directed mechanism of action.<\/jats:p>","DOI":"10.3390\/ijms27041936","type":"journal-article","created":{"date-parts":[[2026,2,18]],"date-time":"2026-02-18T09:22:46Z","timestamp":1771406566000},"page":"1936","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["In Vitro Anticancer Activity and In Silico Target Profiling of 5-(Piperazin-1-ylsulfonyl)-1,3-oxazole-4-carbonitriles"],"prefix":"10.3390","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3943-5063","authenticated-orcid":false,"given":"Oleksandr O.","family":"Severin","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biotechnology, Tallinn University of Technology (TalTech), 15 Akadeemia Rd., 12618 Tallinn, Estonia"},{"name":"Department of Chemistry of Bioactive Nitrogen-Containing Heterocyclic Bases, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the NAS of Ukraine, Academician Kukhar Str., 1, 02094 Kyiv, Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3456-6742","authenticated-orcid":false,"given":"Denys","family":"Bondar","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biotechnology, Tallinn University of Technology (TalTech), 15 Akadeemia Rd., 12618 Tallinn, Estonia"},{"name":"Department of Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Ghent, Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5281-7758","authenticated-orcid":false,"given":"Olga","family":"Bragina","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biotechnology, Tallinn University of Technology (TalTech), 15 Akadeemia Rd., 12618 Tallinn, Estonia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0116-1661","authenticated-orcid":false,"given":"Nandish M.","family":"Nagappa","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biotechnology, Tallinn University of Technology (TalTech), 15 Akadeemia Rd., 12618 Tallinn, Estonia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-2781-1296","authenticated-orcid":false,"given":"Janari","family":"Olev","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biotechnology, Tallinn University of Technology (TalTech), 15 Akadeemia Rd., 12618 Tallinn, Estonia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6668-3412","authenticated-orcid":false,"given":"Volodymyr S.","family":"Brovarets","sequence":"additional","affiliation":[{"name":"Department of Chemistry of Bioactive Nitrogen-Containing Heterocyclic Bases, V.P. 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