Development of PAK1 kinase inhibitors with "in silico" modeling methods

The important role of several protein kinases in many diseases has been well documented. Nowadays they are known as an important class of drug targets. The similarity of the structures of the protein kinases makes the development of selective inhibitors difficult. Only a few selective PAK1 kinase inhibitors have been published in the literature, so we have applied "in silico" methods to aid the development of further selective PAK1 inhibitors. The effects of the potential inhibitors were screened in biochemical assays and pharmacological features have been determined for further development.