The human low molecular weight protein tyrosine phosphatase (LMW-PTP) has been identified as a target for inhibition as its overexpression leads to metastatic transformation and invasivity in several human cancers such as breast, colon, bladder, and kidney. Extra precision docking with Glide on LMW-PTP isoform B 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. The best fit inhibition constants for the selected compounds were determined from in vitro kinetic experiments. The results of the kinetic assay and inhibition constants are reported and discussed.
Seiler, Christopher, "Identification of New Inhibitors of Human Low Molecular Weight Protein Tyrosine: Phosphatase Isoform B via Virtual Screening" (2012). Chemistry Student Work. 4.