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

被引：11

作者：

Wrobel, Tomasz M. ^{[1
]}

Kosikowska, Urszula ^{[2
]}

Kaczor, Agnieszka A. ^{[1
,3
]}

Andrzejczuk, Sylwia ^{[2
]}

Karczmarzyk, Zbigniew ^{[4
]}

Wysocki, Waldemar ^{[4
]}

Urbanczyk-Lipkowska, Zofia ^{[5
]}

Morawiak, Maja ^{[5
]}

Matosiuk, Dariusz ^{[1
]}

机构：

[1] Med Univ Lublin, Dept Synth & Chem Technol Pharmaceut Subst, PL-20093 Lublin, Poland

[2] Med Univ Lublin, Dept Pharmaceut Microbiol, PL-20093 Lublin, Poland

[3] Univ Eastern Finland, Sch Pharm, FI-70211 Kuopio, Finland

[4] Siedlce Univ Nat Sci & Humanities, Dept Chem, PL-08110 Siedlce, Poland

[5] Polish Acad Sci, Inst Organ Chem, PL-01224 Warsaw, Poland

来源：

MOLECULES | 2015年 / 20卷 / 08期

关键词：

antifungal; Candida albicans; X-ray analysis; 14--sterol demethylase; molecular modelling; synthesis;

D O I：

10.3390/molecules200814761

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

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.

引用

页码：14761 / 14776

页数：16

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