Toward a Pharmacophore for Kinase Frequent Hitters

Autor: Aronov, A. M., Murcko, M. A.
Zdroj: Journal of Medicinal Chemistry; November 2004, Vol. 47 Issue: 23 p5616-5619, 4p
Abstrakt: Small molecule protein kinase inhibitors are widely employed as biological reagents and as leads in the design of drugs for a variety of diseases. One of the hardest challenges in kinase inhibitor design is achieving target selectivity. By utilizing X-ray structural information for four promiscuous inhibitors, we propose a five-point pharmacophore for kinase frequent hitters, demonstrate its ability to discriminate between frequent hitters and selective ligands, and suggest a strategy for selective inhibitor design.
Databáze: Supplemental Index