Ontology highlight
ABSTRACT:
SUBMITTER: Niinivehmas S
PROVIDER: S-EPMC6010071 | biostudies-literature | 2018 Dec
REPOSITORIES: biostudies-literature
Niinivehmas Sanna S Postila Pekka A PA Rauhamäki Sanna S Manivannan Elangovan E Kortet Sami S Ahinko Mira M Huuskonen Pasi P Nyberg Niina N Koskimies Pasi P Lätti Sakari S Multamäki Elina E Juvonen Risto O RO Raunio Hannu H Pasanen Markku M Huuskonen Juhani J Pentikäinen Olli T OT
Journal of enzyme inhibition and medicinal chemistry 20181201 1
A comprehensive set of 3-phenylcoumarin analogues with polar substituents was synthesised for blocking oestradiol synthesis by 17-β-hydroxysteroid dehydrogenase 1 (HSD1) in the latter part of the sulphatase pathway. Five analogues produced ≥62% HSD1 inhibition at 5 µM and, furthermore, three of them produced ≥68% inhibition at 1 µM. A docking-based structure-activity relationship analysis was done to determine the molecular basis of the inhibition and the cross-reactivity of the analogues was te ...[more]