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Pyridylethanol(phenylethyl)amines are non-azole, highly selective Candida albicans sterol 14α-demethylase inhibitors
dc.creator | Ogris, Iza | |
dc.creator | Zelenko, Urška | |
dc.creator | Sosič, Izidor | |
dc.creator | Gobec, Martina | |
dc.creator | Skubic, Cene | |
dc.creator | Ivanov, Marija | |
dc.creator | Soković, Marina | |
dc.creator | Kocjan, Darko | |
dc.creator | Rozman, Damjana | |
dc.creator | Golič Grdadolnik, Simona | |
dc.date.accessioned | 2020-12-30T12:44:11Z | |
dc.date.available | 2900-01-01 | |
dc.date.issued | 2021 | |
dc.identifier.issn | 0045-2068 | |
dc.identifier.uri | https://linkinghub.elsevier.com/retrieve/pii/S0045206820317703 | |
dc.identifier.uri | https://radar.ibiss.bg.ac.rs/handle/123456789/4070 | |
dc.description.abstract | Sterol 14α-demethylase (CYP51) is the main drug target for the treatment of fungal infections. The worldwide increase in the incidence of opportunistic fungal infections and the emerging resistance to available azole-based antifungal drugs, raise the need to develop structurally distinct and selective fungal CYP51 inhibitors. In this work we have, for the first time, investigated the binding of pyridylethanol(phenylethyl)amines to any fungal CYP51. The comparison of the binding to Candida albicans and human CYP51 studied by spectroscopic and modeling methods revealed moieties decisive for selectivity and potency and resulted in the development of highly selective derivatives with significantly increased inhibitory potency. The structure-based insight into the selectivity requirements of this new chemical class of fungal CYP51 inhibitors, their unique binding properties and the low molecular weight of lead derivatives offer novel directions for the targeted development of antifungal clinical candidates. | |
dc.format.mimetype | publishedVersion | |
dc.publisher | Elsevier BV | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200007/RS// | |
dc.relation | Slovenian Research Agency (Grant No. J1-8145, P1-0010, P1-0390, and P1-0208) | |
dc.relation | Programme of scientific and technological cooperation between the Republic of Slovenia and the Republic of Serbia (BI-RS/14-15-015) | |
dc.rights | restrictedAccess | |
dc.source | Bioorganic Chemistry | |
dc.subject | Sterol 14α-demethylase | |
dc.subject | Pyridylethanol(phenylethyl)amines | |
dc.subject | Ligand-receptor interactions | |
dc.subject | Selective Candida inhibitors | |
dc.subject | Lead design | |
dc.title | Pyridylethanol(phenylethyl)amines are non-azole, highly selective Candida albicans sterol 14α-demethylase inhibitors | |
dc.type | article | en |
dc.rights.license | ARR | |
dcterms.abstract | Гобец, Мартина; Соковић, Марина; Розман, Дамјана; Коцјан, Дарко; Иванов, Марија; Голич Грдадолник, Симона; Огрис, Иза; Зеленко, Уршка; Сосич, Изидор; Скубиц, Цене; | |
dc.rights.holder | © 2020 Elsevier Inc. | |
dc.citation.volume | 106 | |
dc.identifier.doi | 10.1016/j.bioorg.2020.104472 | |
dc.identifier.pmid | 33261849 | |
dc.identifier.scopus | 2-s2.0-85097053952 | |
dc.identifier.wos | 000605009300009 | |
dc.citation.apa | Ogris, I., Zelenko, U., Sosič, I., Gobec, M., Skubic, C., Ivanov, M., et al. (2021). Pyridylethanol(phenylethyl)amines are non-azole, highly selective Candida albicans sterol 14α-demethylase inhibitors. Bioorganic Chemistry, 106, 104472. | |
dc.citation.vancouver | Ogris I, Zelenko U, Sosič I, Gobec M, Skubic C, Ivanov M, Soković M, Kocjan D, Rozman D, Golič Grdadolnik S. Pyridylethanol(phenylethyl)amines are non-azole, highly selective Candida albicans sterol 14α-demethylase inhibitors. Bioorg Chem. 2021;106:104472. | |
dc.citation.spage | 104472 | |
dc.type.version | publishedVersion | |
dc.citation.rank | M21 |