Synthesis, Structural Studies and Molecular Modelling of a Novel Imidazoline Derivative with Antifungal Activity

Molecules

Tomasz M. Wrl¹  Urszula Kosikowska³  Agnieszka A. Kaczor¹  Sylwia Andrzejczuk³  Zbigniew Karczmarzyk²  Waldemar Wysocki²  Zofia Urbaᑌzyk-Lipkowska⁴  Maja Morawiak⁴  Dariusz Matosiuk¹ 

[1] Department of Synthesis and Chemical Technology of Pharmaceutical Substances, Medical University of Lublin, Chodzki 4a, 20-093 Lublin, Poland; E-Mails:;Department of Chemistry, Siedlce University of Natural Sciences and Humanities, 3 Maja 54, 08-110 Siedlce, Poland; E-Mails:;Department of Pharmaceutical Microbiology, Medical University of Lublin, Chodzki 1, 20-093 Lublin, Poland; E-Mails:;Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warszawa, Poland; E-Mails:

关键词: antifungal;    Candida albicans;    X-ray analysis;    14-α-sterol demethylase;    molecular modelling;    synthesis;   

DOI  :  10.3390/molecules200814761

来源: mdpi

【 摘 要 】

Six novel imidazoline derivatives were synthesized and tested in antifungal assays. One of the compounds, N-cyclohexyl-2-imino-3-(4-nitrophenyl)imidazolidine-1-carboxamide showed moderate activity against several clinical strains of Candida albicans. Its structure was solved by X-ray crystallography and its mode of action was deduced using molecular modelling. It was found to be similar to that of fluconazole. The potential for further optimization including SAR of the compound is briefly discussed.

【 授权许可】

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