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Herein, a series of 33 new derivatives of bensulfuron methyl (BSM) were synthesized and characterized by <jats:sup>1<\/jats:sup>H NMR, <jats:sup>13<\/jats:sup>C NMR, and HRMS. Among the target compounds, <jats:bold>8a<\/jats:bold> possessed the best <jats:italic>K<\/jats:italic><jats:sub>i<\/jats:sub> value of 1.015\u2009\u03bcM against <jats:italic>C. auris<\/jats:italic> acetohydroxyacid synthase (<jats:italic>Cau<\/jats:italic>AHAS) and an MIC value of 6.25\u2009\u03bcM against CBS10913, a clinically isolated strain of <jats:italic>C. auris<\/jats:italic>. Taken together the structures of BSM and the synthesized compounds, it was found that methoxy groups at both <jats:italic>meta<\/jats:italic>\u2010position of pyrimidine ring are likely to provide desirable antifungal activities. Quantum calculations and molecular dockings were performed to understand the structure\u2013activity relationships. The present study has hence provided some interesting clues for the discovery of novel antibiotics with this distinct mode of action.<\/jats:p>","DOI":"10.1111\/cbdd.14364","type":"journal-article","created":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T23:39:01Z","timestamp":1697067541000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Structure\u2013activity relationships of bensulfuron methyl and its derivatives as novel agents against drug\u2010resistant <i>Candida auris<\/i>"],"prefix":"10.1111","volume":"103","author":[{"given":"Xue\u2010Wen","family":"Sun","sequence":"first","affiliation":[{"name":"State\u2010Key Laboratory and Research Institute of Elemento\u2010Organic Chemistry, Frontiers Science Center for New Organic Matter, College of Chemistry Nankai University  Tianjin China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-6394-1797","authenticated-orcid":false,"given":"Yixuan","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences The University of Queensland  Brisbane Queensland Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaofang","family":"Wang","sequence":"additional","affiliation":[{"name":"Newish Technology (Beijing) Co., Ltd.  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hao\u2010Ran","family":"Li","sequence":"additional","affiliation":[{"name":"State\u2010Key Laboratory and Research Institute of Elemento\u2010Organic Chemistry, Frontiers Science Center for New Organic Matter, College of Chemistry Nankai University  Tianjin China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin","family":"Lin","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences The University of Queensland  Brisbane Queensland Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jin\u2010Yin","family":"Tang","sequence":"additional","affiliation":[{"name":"State\u2010Key Laboratory and Research Institute of Elemento\u2010Organic Chemistry, Frontiers Science Center for New Organic Matter, College of Chemistry Nankai University  Tianjin China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qing","family":"Xu","sequence":"additional","affiliation":[{"name":"State\u2010Key Laboratory and Research Institute of Elemento\u2010Organic Chemistry, Frontiers Science Center for New Organic Matter, College of Chemistry Nankai University  Tianjin China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7701-9143","authenticated-orcid":false,"given":"Kylie A.","family":"Agnew\u2010Francis","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences The University of Queensland  Brisbane Queensland Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5724-5285","authenticated-orcid":false,"given":"James A.","family":"Fraser","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences The University of Queensland  Brisbane Queensland Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhi\u2010Juan","family":"Sun","sequence":"additional","affiliation":[{"name":"Newish Technology (Beijing) Co., Ltd.  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