Structure-based optimization of aminopyridines as PKCθ inhibitors

Autor:	Ronald Knegtel, Ian Ager, Luca Settimo, Stephen Clinton Young, Dean Boyall, Richele K Rasmussen, Claire M. Bolton, Peter Chiu, Adam P. Curnock, Christopher John Davis, Adam Tanner, Juan-Miguel Jimenez, Damien Fraysse
Rok vydání:	2012
Předmět:	Models Molecular Molecular Structure Chemistry Stereochemistry Organic Chemistry Clinical Biochemistry Pharmaceutical Science Aminopyridines Biochemistry Combinatorial chemistry Mice Structure-Activity Relationship Docking (molecular) Drug Discovery Molecular Medicine Structure based Structure–activity relationship Animals Molecular Biology Protein Kinase Inhibitors Protein Kinase C
Zdroj:	Bioorganicmedicinal chemistry letters. 22(14)
ISSN:	1464-3405
Popis:	The identification of a novel series of PKCθ inhibitors and subsequent optimization using docking based on a crystal structure of PKCθ is described. SAR was rapidly generated around an amino pyridine-ketone hit; (6-aminopyridin-2-yl)(2-aminopyridin-3-yl)methanone 2 leading to compound 21 which significantly inhibits production of IL-2 in a mouse SEB-IL2 model.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8dcb8517f1186f9dfe4bbe54db055a35 https://pubmed.ncbi.nlm.nih.gov/22738630 Zobrazit plný text záznamu Full Text from ScienceDirect