TY  - JOUR
AU  - Ivanov, Marija
AU  - Matsoukas, Minos-Timotheos
AU  - Kritsi, Eftichia
AU  - Zelenko, Urska
AU  - Golic Grdadolnik, Simona
AU  - Calhelha, Ricardo C.
AU  - Ferreira, Isabel C. F. R.
AU  - Sanković-Babić, Snežana
AU  - Glamočlija, Jasmina
AU  - Fotopoulou, Theano
AU  - Koufaki, Maria
AU  - Zoumpoulakis, Panagiotis
AU  - Soković, Marina
PY  - 2018
UR  - http://doi.wiley.com/10.1002/cmdc.201700602
UR  - http://www.ncbi.nlm.nih.gov/pubmed/29235267
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/2968
AB  - Four heteroaromatic compounds bearing nitrate esters were selected using a virtual-screening procedure as putative sterol 14α-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, in silico 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)-1Η-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.
T2  - ChemMedChem
T1  - Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors.
IS  - 4
VL  - 32
DO  - 10.1002/cmdc.201700602
SP  - 342
EP  - 349
ER  - 

@article{
author = "Ivanov, Marija and Matsoukas, Minos-Timotheos and Kritsi, Eftichia and Zelenko, Urska and Golic Grdadolnik, Simona and Calhelha, Ricardo C. and Ferreira, Isabel C. F. R. and Sanković-Babić, Snežana and Glamočlija, Jasmina and Fotopoulou, Theano and Koufaki, Maria and Zoumpoulakis, Panagiotis and Soković, Marina",
year = "2018",
abstract = "Four heteroaromatic compounds bearing nitrate esters were selected using a virtual-screening procedure as putative sterol 14α-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, in silico 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)-1Η-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.",
journal = "ChemMedChem",
title = "Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors.",
number = "4",
volume = "32",
doi = "10.1002/cmdc.201700602",
pages = "342-349"
}

Ivanov, M., Matsoukas, M., Kritsi, E., Zelenko, U., Golic Grdadolnik, S., Calhelha, R. C., Ferreira, I. C. F. R., Sanković-Babić, S., Glamočlija, J., Fotopoulou, T., Koufaki, M., Zoumpoulakis, P.,& Soković, M.. (2018). Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors.. in ChemMedChem, 32(4), 342-349.
https://doi.org/10.1002/cmdc.201700602

Ivanov M, Matsoukas M, Kritsi E, Zelenko U, Golic Grdadolnik S, Calhelha RC, Ferreira ICFR, Sanković-Babić S, Glamočlija J, Fotopoulou T, Koufaki M, Zoumpoulakis P, Soković M. Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors.. in ChemMedChem. 2018;32(4):342-349.
doi:10.1002/cmdc.201700602 .

Ivanov, Marija, Matsoukas, Minos-Timotheos, Kritsi, Eftichia, Zelenko, Urska, Golic Grdadolnik, Simona, Calhelha, Ricardo C., Ferreira, Isabel C. F. R., Sanković-Babić, Snežana, Glamočlija, Jasmina, Fotopoulou, Theano, Koufaki, Maria, Zoumpoulakis, Panagiotis, Soković, Marina, "Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors." in ChemMedChem, 32, no. 4 (2018):342-349,
https://doi.org/10.1002/cmdc.201700602 . .