Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery.

ABSTRACT: Protein tyrosine phosphatases (PTPs) represent an important class of enzymes that mediate signal transduction and control diverse aspects of cell behavior. The importance of their activity is exemplified by their significant contribution to disease etiology with over half of all human PTP genes implicated in at least one disease. Small molecule inhibitors targeting individual PTPs are important biological tools, and are needed to fully characterize the function of these enzymes. Moreover, potent and selective PTP inhibitors hold the promise to transform the treatment of many diseases. While numerous methods exist to develop PTP-directed small molecules, we have found that complimentary use of both virtual (in silico) and biochemical (in vitro) screening approaches expedite compound identif

SUBMITTER: Martin KR 

PROVIDER: S-EPMC3946838 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature