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A series of pyrimidinetrione\u2010imidazole conjugates as potentially antifungal agents were developed. Bioassays manifested that 4\u2010fluobenzyl pyrimidinetrione imidazole <jats:bold>5\u2009f<\/jats:bold> exerted favorable inhibition towards <jats:italic>C. albicans<\/jats:italic> (MIC=0.002\u2005mM), being 6.5 folds more active than clinical antifungal drug fluconazole (MIC=0.013\u2005mM). Preliminary mechanism research indicated that compound <jats:bold>5\u2009f<\/jats:bold> could not only depolarize membrane potential but also permeabilize the membrane of <jats:italic>C. albicans<\/jats:italic>. Molecular docking was operated to simulate the interaction mode between molecule <jats:bold>5\u2009f<\/jats:bold> and CYP51. In addition, hybrid <jats:bold>5\u2009f<\/jats:bold> might form <jats:bold>5\u2009f<\/jats:bold>\u2010DNA supramolecular complex <jats:italic>via<\/jats:italic> intercalating into DNA. The interference of membrane and DNA might contribute to its fungicidal capacity with no obvious tendency to induce the resistance against <jats:italic>C. albicans<\/jats:italic>. Conjugate <jats:bold>5\u2009f<\/jats:bold> endowed good blood compatibility as well as low cytotoxicity towards HeLa and HEK\u2010293T cells.<\/jats:p>","DOI":"10.1002\/asia.202100146","type":"journal-article","created":{"date-parts":[[2021,4,8]],"date-time":"2021-04-08T03:32:04Z","timestamp":1617852724000},"page":"1417-1429","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":43,"title":["Pyrimidinetrione\u2010imidazoles as a Unique Structural Type of Potential Agents towards <i>Candida Albicans<\/i>: Design, Synthesis and Biological Evaluation"],"prefix":"10.1002","volume":"16","author":[{"given":"Yan\u2010Fei","family":"Sui","sequence":"first","affiliation":[{"name":"Institute of Bioorganic &amp; Medicinal Chemistry' Key Laboratory of Luminescence Analysis and Molecular Sensing (Ministry of Education) School of Chemistry and Chemical Engineering Southwest University  Chongqing 400715 P. R. 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