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Quantitative structure\u2010activity relationship (QSAR) modeling was conducted to evaluate a series of oxazole derivatives as antibacterials. Eighteen new 5\u2010amino\u20104\u2010cyano\u20101,3\u2010oxazoles with promising predictive properties were synthesized and reliably characterized. Fourteen compounds were found to inhibit bacterial growth (MICs varied from 8 to 512 \u00b5g\/mL). Eight derivatives exhibited the highest activity against colistin\u2010resistant\n                    <jats:italic>Escherichia coli<\/jats:italic>\n                    and\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    isolates with MICs of 8\u201364 \u00b5g\/mL. Moreover, six compounds exhibited activities greater or similar to that of reference oxacillin and cefepime against clinical isolates. Analysis of the studied 5\u2010amino\u20104\u2010cyano\u20101,3\u2010oxazoles as target\u2010directed glutathione S\u2010transferase (GST) inhibitors showed that derivatives\n                    <jats:bold>7<\/jats:bold>\n                    ,\n                    <jats:bold>11<\/jats:bold>\n                    , and\n                    <jats:bold>12<\/jats:bold>\n                    inhibited GSTA1\u20101 with an IC\n                    <jats:sub>50<\/jats:sub>\n                    range of 3.2\u20137.5\u00a0\u00b5M. Molecular docking results indicate that these compounds can occupy the enzyme's active site. The cytotoxicity results in L20B and RD cell lines showed that compounds\n                    <jats:bold>11<\/jats:bold>\n                    and\n                    <jats:bold>12<\/jats:bold>\n                    demonstrated significant cytostatic effects, with CD\n                    <jats:sub>50<\/jats:sub>\n                    values ranging from 0.02 to 2\u00a0\u00b5g\/mL. Additionally, these two compounds showed moderate acute toxicity toward D. magna, with LC\n                    <jats:sub>50<\/jats:sub>\n                    values of 7.27 \u00b1 1.22 and 5.10 \u00b1 1.07\u00a0mg\/L (D.R. Passino classification).\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202503788","type":"journal-article","created":{"date-parts":[[2026,5,1]],"date-time":"2026-05-01T06:06:13Z","timestamp":1777615573000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Antibacterial Activity and Cytotoxicity Evaluation of 5\u2010Amino\u20104\u2010cyano\u20101,3\u2010oxazole Derivatives: Synthesis, In Silico, and In Vitro Studies"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6161-9833","authenticated-orcid":false,"given":"Diana","family":"Hodyna","sequence":"first","affiliation":[{"name":"Laboratory of Medical and Biological Research V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the NAS of Ukraine  Kyiv Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1517-4807","authenticated-orcid":false,"given":"Maryna","family":"Kachaeva","sequence":"additional","affiliation":[{"name":"Department of Chemistry of Bioactive Nitrogen\u2010Containing Heterocyclic Bases V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the NAS of Ukraine  Kyiv Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1073-0600","authenticated-orcid":false,"given":"Yurii","family":"Shulha","sequence":"additional","affiliation":[{"name":"Department of Mechanisms of Bioorganic Reactions V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the NAS of Ukraine  Kyiv Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4342-5688","authenticated-orcid":false,"given":"Olena","family":"Trokhimenko","sequence":"additional","affiliation":[{"name":"Shupyk National Healthcare University of Ukraine  Kyiv Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9352-7332","authenticated-orcid":false,"given":"Vasyl","family":"Kovalishyn","sequence":"additional","affiliation":[{"name":"Laboratory of Medical and Biological Research V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the NAS of Ukraine  Kyiv Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6668-3412","authenticated-orcid":false,"given":"Volodymyr","family":"Brovarets","sequence":"additional","affiliation":[{"name":"Department of Chemistry of Bioactive Nitrogen\u2010Containing Heterocyclic Bases V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the NAS of Ukraine  Kyiv Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9876-6076","authenticated-orcid":false,"given":"Larysa","family":"Metelytsia","sequence":"additional","affiliation":[{"name":"Laboratory of Medical and Biological Research V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the NAS of Ukraine  Kyiv Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,4,30]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1080\/1040841X.2024.2313024"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.3390\/microbiolres16080183"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.3390\/antibiotics11081079"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/healthcare11131946"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0140\u20106736(24)01867\u20101"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.3390\/ph18030402"},{"key":"e_1_2_9_8_1","unstructured":"World Health Organization \u201cWHO Releases New Reports on New Tests and Treatments in Development for Bacterial Infections\u201d (accessed 12 November 2025) https:\/\/www.who.int\/news\/item\/02\u201010\u20102025\u2010who\u2010releases\u2010new\u2010reports\u2010on\u2010new\u2010tests\u2010and\u2010treatments\u2010in\u2010development\u2010for\u2010bacterial\u2010infections."},{"key":"e_1_2_9_9_1","unstructured":"World Health Organization \u201cWHO Bacterial Priority Pathogens List 2024: Bacterial Pathogens of Public Health Importance to Guide Research Development and Strategies to Prevent and Control Antimicrobial Resistance\u201d (accessed 12 November 2025)https:\/\/www.who.int\/publications\/i\/item\/9789240093461 2024."},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms25115999"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.46847\/ujmm.2023.4(4)\u2010120"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00044\u2010023\u201003074\u20102"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0307439"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1007\/s44371\u2010025\u201000134\u2010x"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598\u2010025\u201016561\u2010w"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.3390\/ph18010083"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112686"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598\u2010025\u201002769\u20103"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2023.106975"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.202500368"},{"key":"e_1_2_9_21_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13065\u2010019\u20100531\u20109"},{"key":"e_1_2_9_22_1","doi-asserted-by":"publisher","DOI":"10.1002\/slct.202500282"},{"key":"e_1_2_9_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiolchem.2020.107407"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.aichem.2023.100024"},{"key":"e_1_2_9_25_1","doi-asserted-by":"publisher","DOI":"10.5267\/j.ccl.2024.8.001"},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.202300527"},{"key":"e_1_2_9_27_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822\u2010011\u20109440\u20102"},{"key":"e_1_2_9_28_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321\u2010020\u201000423\u2010w"},{"key":"e_1_2_9_29_1","doi-asserted-by":"publisher","DOI":"10.1007\/978\u20101\u201060327\u2010101\u20101_10"},{"key":"e_1_2_9_30_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01288"},{"key":"e_1_2_9_31_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321\u2010017\u20100220\u20104"},{"key":"e_1_2_9_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/Ci00028a014"},{"key":"e_1_2_9_33_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci000392t"},{"key":"e_1_2_9_34_1","doi-asserted-by":"publisher","DOI":"10.2174\/1573409052952288"},{"key":"e_1_2_9_35_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci000384c"},{"key":"e_1_2_9_36_1","doi-asserted-by":"publisher","DOI":"10.1002\/cem.1296"},{"key":"e_1_2_9_37_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci800151m"},{"key":"e_1_2_9_38_1","volume-title":"Statistic and Experimental Design in Engineering and the Physical Sciences","author":"Jonhos N. 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