Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors
Δημιουργός/Συγγραφέας:	Smiljkovic M. Matsoukas M.-T. Kritsi E. Zelenko U. Grdadolnik S.G. Calhelha R.C. Ferreira I.C.F.R. Sankovic-Babic S. Glamoclija J. Fotopoulou T. [EL] Κουφάκη, Μαρία[EN] Koufaki, Maria [EL] Ζουμπουλάκης, Παναγιώτης[EN] Zoumpoulakis, Panagiotis Sokovic M.
Εκδότης:	John Wiley and Sons Ltd
Ημερομηνία:	2018
Γλώσσα:	Αγγλικά
ISSN:	1860-7179
DOI:	10.1002/cmdc.201700602
Άλλο:	PubMed ID: 29235267
Περίληψη:	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.
Τίτλος πηγής δημοσίευσης:	ChemMedChem
Τόμος/Κεφάλαιο:	13
Τεύχος:	3
Σελίδες:	149
Θεματική Κατηγορία:	[EL] Φαρμακευτική χημεία[EN] Pharmaceutical chemistry [EL] Βιοχημεία[EN] Biochemistry
Λέξεις-Κλειδιά:	antimicrobial activity biofilms inhibitors nitrate esters virtual screening
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
Όροι και προϋποθέσεις δικαιωμάτων:	All Open Access, Green
Σημειώσεις:	173032; Javna Agencija za Raziskovalno Dejavnost RS, ARRS: J1-8145, P1-0010; Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja, MPNTR. This work was supported financially by the Serbian Ministry of Education, Science, and Technological Development (Grant number 173032). Binding studies to CaCYP51 were supported by the Slovenian Research Agency (Grants P1-0010 and J1-8145) and by a program of scientific and technological cooperation between the Republic of Serbia and the Republic of Slovenia. This work was supported financially by the Serbian Ministry of Education, Science, and Technological Development (Grant number 173032). Binding studies to CaCYP51 were supported by the Slovenian Research Agency (Grants P1-0010 and J1-8145) and by a program of scientific and technological cooperation between the Republic of Serbia and the Republic of Slovenia “A combined methodology towards the development of novel, selective inhibitors of Candida CYP51”.
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο