期刊
CHEMMEDCHEM
卷 13, 期 3, 页码 251-258出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cmdc.201700602
关键词
antimicrobial activity; biofilms; inhibitors; nitrate esters; virtual screening
资金
- Serbian Ministry of Education, Science, and Technological Development [173032]
- Slovenian Research Agency [P1-0010, J1-8145]
- Republic of Serbia
- Republic of Slovenia
Four heteroaromatic compounds bearing nitrate esters were selected using a virtual-screening procedure as putative sterol 14-demethylase (CYP51) Candida albicans inhibitors. Compounds were examined for their inhibition on C.albicans growth and biofilm formation as well as for their toxicity. NMR spectroscopy studies, insilico docking, and molecular dynamics simulations were used to investigate further the selectivity of these compounds to fungal CYP51. All compounds exhibited good antimicrobial properties, indicated with low minimal inhibitory concentrations and ability to inhibit formation of fungal biofilm. Moreover, all of the compounds had the ability to inhibit growth of C.albicans cells. N-(2-Nitrooxyethyl)-1-indole-2-carboxamide was the only compound with selectivity on C.albicans CYP51 that did not exhibit cytotoxic effect on cells isolated from liver and should be further investigated for selective application in new leads for the treatment of candidiasis.
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