METHODS TO PREPARE AND EMPLOY BINDING SITE MODELS FOR MODULATION OF PHOSPHATASE ACTIVITY AND SELECTIVITY DETERMINATION

摘要

The present invention provides SHP2, PTP-PEST (PTPN12, PTPG1), LYP (PTPN22, PEP, PTPN8) ΡΤΡ1 Β and STEP Enrichment models, and methods of deriving enrichment models for other tyrosine phosphatases, which function depends on movements of the WPD-loop. Also provided are methods to compare phosphatase Enrichment Models. This provides an implementable process to identify selective modulators of phosphatase activity. Furthermore, it provides methods to select modulators expected to a pre-determined modulatory activity across a pre-selected subset of phosphatases. The phosphatase Enrichment Models of the present invention can be used to screen for or design modulators of tyrosine phosphatase function.