The human low molecular weight protein tyrosine phosphatase (LMW PTP) has been identified as a target for inhibition to down regulate metastatic transformation and invasivity in several human cancers such as breast, colon, bladder, and kidney. Extra precision docking with Glide on both isoforms of LMW-PTP was used to virtually screen 1356 compounds from the National Cancer Institute (NCI) diversity set II for new potential inhibitors. Twenty-one compounds identified as potential inhibitors by in silico screening methods were acquired from NCI.  The compounds were kinetically analyzed on LMW PTP isoform B to validate their selection as potential inhibitors.  Both in vitro and in silico results will be presented.

Identification of novel inhibitors of low molecular weight tyrosine phosphatase via virtual screening

243rd National Meeting (2012)

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