TY  - JOUR
AU  - Smiljković, 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  - https://smile.stomf.bg.ac.rs/handle/123456789/2357
AB  - 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.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemmedchem
T1  - Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors
VL  - 13
IS  - 3
SP  - 251
EP  - 258
DO  - 10.1002/cmdc.201700602
ER  - 

@article{
author = "Smiljković, 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 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.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemmedchem",
title = "Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors",
volume = "13",
number = "3",
pages = "251-258",
doi = "10.1002/cmdc.201700602"
}

Smiljković, 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
Wiley-V C H Verlag Gmbh, Weinheim., 13(3), 251-258.
https://doi.org/10.1002/cmdc.201700602

Smiljković 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;13(3):251-258.
doi:10.1002/cmdc.201700602 .

Smiljković, 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, 13, no. 3 (2018):251-258,
https://doi.org/10.1002/cmdc.201700602 . .