Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors.
2018
Аутори:
Ivanov, MarijaMatsoukas, 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
Тип документа:
Чланак у часопису (Објављена верзија)
,
© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
Метаподаци
Приказ свих података о документуАпстракт:
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.
Кључне речи:
Antimicrobial activity; Biofilms; Inhibitors; Nitrate esters; Virtual screeningИзвор:
ChemMedChem, 2018, 32, 4, 342-349Финансирање / пројекти:
- Карактеризација и примена метаболита гљива и утврђивање потенцијала нових биофунгицида (RS-MESTD-Basic Research (BR or ON)-173032)
- Slovenian Research Agency. Grant Number: P1-0010
- Programme of scientific and technological cooperation between the Republic of Serbia and the Republic of Slovenia
DOI: 10.1002/cmdc.201700602
ISSN: 1451-3994
PubMed: 29235267
WoS: 000424514900008
Scopus: 2-s2.0-85041092168
URI
http://doi.wiley.com/10.1002/cmdc.201700602http://www.ncbi.nlm.nih.gov/pubmed/29235267
https://radar.ibiss.bg.ac.rs/handle/123456789/2968