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

ABSTRACT: 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.

SUBMITTER: Wrobel TM

PROVIDER: S-EPMC6332182 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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

Wróbel Tomasz M TM Kosikowska Urszula U Kaczor Agnieszka A AA Andrzejczuk Sylwia S Karczmarzyk Zbigniew Z Wysocki Waldemar W Urbańczyk-Lipkowska Zofia Z Morawiak Maja M Matosiuk Dariusz D

Molecules (Basel, Switzerland) 20150813 8

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 discus ...[more]

PMID: 26287137

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