Toward a pharmacophore for kinase frequent hitters.

by: AM Aronov, MA Murcko

J Med Chem, Vol. 47, No. 23. (4 November 2004), pp. 5616-5619.

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DOI, American Chem. Soc. Publications, Pubmed, Hubmed

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Abstract

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.

@article{citeulike:497068, abstract = {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.}, address = {Vertex Pharmaceuticals Inc., Cambridge, Massachusetts 02139-4242, USA. alex\_aronov@vrtx.com}, author = {Aronov, A. M. and Murcko, M. A. }, citeulike-article-id = {497068}, doi = {http://dx.doi.org/10.1021/jm049793g}, issn = {0022-2623}, journal = {J Med Chem}, keywords = {chemical, kinase}, month = {November}, number = {23}, pages = {5616--5619}, posted-at = {2006-05-28 16:37:28}, priority = {0}, title = {Toward a pharmacophore for kinase frequent hitters.}, url = {http://dx.doi.org/10.1021/jm049793g}, volume = {47}, year = {2004} }

RIS record

TY - JOUR ID - citeulike:497068 L3 - citeulike-article-id:497068 N2 - 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. IS - 23 JF - J Med Chem SN - 0022-2623 AD - Vertex Pharmaceuticals Inc., Cambridge, Massachusetts 02139-4242, USA. alex_aronov@vrtx.com EP - 5619 TI - Toward a pharmacophore for kinase frequent hitters. VL - 47 SP - 5616 KW - chemical KW - kinase AU - Aronov, AM AU - Murcko, MA PY - 2004/11/04/ UR - http://dx.doi.org/10.1021/jm049793g ER -

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