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Compounds were examined for their inhibition on <jats:italic>C.\u2005albicans<\/jats:italic> growth and biofilm formation as well as for their toxicity. NMR spectroscopy studies, in\u2005silico 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 <jats:italic>C.\u2005albicans<\/jats:italic> cells. <jats:italic>N<\/jats:italic>\u2010(2\u2010Nitrooxyethyl)\u20101<jats:italic>\u0397<\/jats:italic>\u2010indole\u20102\u2010carboxamide was the only compound with selectivity on <jats:italic>C.\u2005albicans<\/jats:italic> 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.<\/jats:p>","DOI":"10.1002\/cmdc.201700602","type":"journal-article","created":{"date-parts":[[2017,12,13]],"date-time":"2017-12-13T04:36:57Z","timestamp":1513139817000},"page":"251-258","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":19,"title":["Nitrate Esters of Heteroaromatic Compounds as <i>Candida albicans<\/i> CYP51 Enzyme Inhibitors"],"prefix":"10.1002","volume":"13","author":[{"given":"Marija","family":"Smiljkovic","sequence":"first","affiliation":[{"name":"Department of Plant Physiology, Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d University of Belgrade  Bulevar Despota Stefana 142 11000 Belgrade Serbia"}]},{"given":"Minos\u2010Timotheos","family":"Matsoukas","sequence":"additional","affiliation":[{"name":"Cloudpharm P.C.  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