Browse views: by Year, by Function, by GLF, by Subfunction, by Conference, by Journal

3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors

Lindvall, Mika, McBride, Christopher, Mckenna, Maureen, Gesner, Thomas, Yabannavar, Asha, Wong, Kent, Lin, Song, Walter, Annette and Shafer, Cynthia (2011) 3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors. Medicinal Chemistry Letters, 2 (11). pp. 720-723. ISSN 1948-5875


A ligand-based 3D pharmacophore model for serine/threonine kinase CDC7 inhibition was created and successfully applied in the discovery of novel 2-(heteroaryl)-6,7-dihydrothieno[3,2-c]pyridin-4(5H)-ones, easily synthesized from commercially available materials. The pharmacophore model provided a hypothesis for lead generation missed by docking to a homology model. Medicinal chemistry exploration of the series revealed clear structure activity relationships consistent with the pharmacophore model and pointed to further optimization opportunities.

Item Type: Article
Additional Information: archiving not formally supported by this publisher
Keywords: CDC7, kinase, pharmacophore model, CADD
Date Deposited: 13 Oct 2015 13:15
Last Modified: 13 Oct 2015 13:15


Email Alerts

Register with OAK to receive email alerts for saved searches.