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Flavonoids and cinnamic acid esters as inhibitors of fungal 17ß-hydroxysteroid dehydrogenase : a synthesis, QSAR and modelling studySova, Matej, 1979- ...The 17ß-hydroxysteroid dehydrogenases (17ß-HSDs) modulate the biological potency of estrogens and androgens by interconversion of inactive 17-keto-steroids and their active 17ß-hydroxy- counterparts. ... We have shown previously that flavonoids are potentially useful lead compounds for developing inhibitors of 17ß-HSDs. In this paper, we describe the synthesis and biochemical evaluation of structurally analogous inhibitors, the traps-cinnamic acid esters and related compounds. Additionally, quantitative structure-activity relationship (QSAR) and modelling studies were performed torationalize the results and to suggest further optimization. The results stress the importance of a hydrogen bond with Asn154 and hydrophobic interactions with the aromatic side chain of Tyr212 for optimal molecular recognition.Source: Bioorganic & Medicinal Chemistry. - ISSN 0968-0896 (Letn. 14, 2006, str. 7404-7418)Type of material - article, component partPublish date - 2006Language - englishCOBISS.SI-ID - 21450969
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Database name | Field | Year |
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Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
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Sova, Matej, 1979- | 25490 |
Perdih, Andrej, farmacevt | 25493 |
Kotnik, Miha | 24455 |
Kristan, Katja, 1975- | 24392 |
Lanišnik-Rižner, Tea | 11699 |
Šolmajer, Tomaž | 01661 |
Gobec, Stanislav, 1970- | 15284 |
Source: Personal bibliographies
and: SICRIS
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