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Subsequent sulfoxidation of these derivatives (<jats:bold>2\u20135<\/jats:bold>) using hydrogen peroxide and glacial acetic acid yielded a diverse array of pyrimidine sulfonyl methanone derivatives (<jats:bold>6\u20139<\/jats:bold>). In parallel, the sulfoxidation of pyrimidine sulfonothioates (<jats:bold>10\u201312<\/jats:bold>) yielded sulfonyl sulfonyl pyrimidines (<jats:bold>13\u201315<\/jats:bold>), originating from the condensation of compound <jats:bold>1<\/jats:bold> with sulfonyl chloride derivatives. The newly synthesized compounds underwent characterization via FT-IR, NMR, mass spectrometry, and elemental analyses. Biological screenings unveiled interesting properties: compounds <jats:bold>1<\/jats:bold> and <jats:bold>6<\/jats:bold> exhibited significant antimicrobial potency against <jats:italic>S. epidermidis<\/jats:italic> and <jats:italic>S. haemolyticus<\/jats:italic>, whereas compound <jats:bold>11<\/jats:bold> showed distinct insensitivity. Excitingly, compounds <jats:bold>12<\/jats:bold> and <jats:bold>6<\/jats:bold> showcased robust antioxidant activity by efficiently scavenging DPPH<jats:sup>\u2022<\/jats:sup> radical, underscoring their potential in oxidative stress mitigation. Notably, compounds <jats:bold>10<\/jats:bold> and <jats:bold>12<\/jats:bold> displayed promising anti-tumor effects, with compound <jats:bold>12<\/jats:bold> demonstrating superior efficacy against the MCF-7 breast cancer cell line compared to compound <jats:bold>10<\/jats:bold>. The study revealed a spectrum of biological activities across the synthesized derivatives, with modifications often resulting in diminished bioactivity compared to the parent compound <jats:bold>1<\/jats:bold>. These findings shed light on the intricate relationship between chemical modifications and biological properties, offering valuable insights for future drug discovery endeavors.<\/jats:p>","DOI":"10.1038\/s41598-024-83050-x","type":"journal-article","created":{"date-parts":[[2025,1,6]],"date-time":"2025-01-06T17:23:16Z","timestamp":1736184196000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Sulfoxidation of pyrimidine thioate derivatives and study their biological activities"],"prefix":"10.1038","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8100-8535","authenticated-orcid":false,"given":"Atif A.","family":"El-Gharably","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"A. A.","family":"Nassar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"N. 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