Inhibition of Bilirubin UDP-glucuronosyltransferase: A Comparative Molecular Field Analysis (CoMFA)

Autor:	Jacques Magdalou, Gérard Vergoten, Mourad Said, Abdelaziz Elass, Jean-Claude Ziegler
Rok vydání:	1996
Předmět:	Pharmacology chemistry.chemical_classification Steric effects Stereochemistry Bilirubin Carboxylic acid Glucuronidation Inhibitory postsynaptic potential Phenolphthalein chemistry.chemical_compound Non-competitive inhibition chemistry Biochemistry Microsome
Zdroj:	Quantitative Structure-Activity Relationships. 15:382-388
ISSN:	1521-3838 0931-8771
DOI:	10.1002/qsar.19960150503
Popis:	Two series of compounds structurally related to phenolphthalein and triphenylalkyl carboxylic acid were tested as inhibitors of bilirubin glucuronidation catalyzed by rat liver microsomal UDP-glucuronosyltransferase, and analyzed by the CoMFA method in order to predict the inhibitory potency of these structures and afford a three dimensional structure of the bilirubin binding site. These substances could inhibit bilirubin glucuronidation to different extents. Their inhibitory potency was quantitated in terms of I50 values. The best inhibitors exhibited competitive inhibition. The 3D-QSAR results led to a fairly good prediction of the inhibitory potency of these two series of compounds. They indicate a correlation between the inhibitory activity of the glucuronidation reaction and the steric and electrostatic fields with a relative contribution of 43% and 57%, respectively.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::dc5589022e6166c2512eee56394b0eb8 https://doi.org/10.1002/qsar.19960150503 Zobrazit plný text záznamu Plný text