Title : Charge optimization of the interface between protein kinases and their ligands.

Pub. Date : 2004 Aug

PMID : 15185335






2 Functional Relationships(s)
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1 We applied charge optimization to a fragment of the heat-stable protein kinase inhibitor (PKI) of protein kinase A (PKA), to three flavopiridol inhibitors of CDK2, and to cyclin A which interacts with CDK2 to regulate the cell cycle. alvocidib cyclin dependent kinase 2 Homo sapiens
2 In studying the binding of flavopiridol inhibitors to CDK2, comparable binding affinity could be obtained regardless of whether the net charges of the inhibitors were constrained to -2, -1, 0, 1, or 2 during the optimization. alvocidib cyclin dependent kinase 2 Homo sapiens