[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.

Drug discovery in the kinase inhibitory field using the Nested Chemical Library technology.

Kinase inhibitors are at the forefront of modern drug research, where mostly three technologies are used for hit-and-lead finding: high throughput screening of random libraries, three-dimensional structure-based drug design based on X-ray data, and focused libraries around limited number of new cores. Our novel Nested Chemical Library (NCL) (Vichem Chemie Research Ltd., Budapest, Hungary) technology is based on a knowledge base approach, where focused libraries around selected cores are used to generate pharmacophore models.