Author/Authors :
Juswinder Singh، نويسنده , , Claudio E. Chuaqui، نويسنده , , P. Ann Boriack-Sjodin، نويسنده , , Wen-Cherng Lee، نويسنده , , Timothy Pontz، نويسنده , , Michael J. Corbley، نويسنده , , H. -Kam Cheung، نويسنده , , Robert M. Arduini، نويسنده , , Jonathan N. Mead، نويسنده , , Miki N. Newman، نويسنده , , James L. Papadatos، نويسنده , , Scott Bowes، نويسنده , , Serene Josiah، نويسنده , , Leona E. Ling، نويسنده ,
Abstract :
We describe the discovery, using shape-based virtual screening, of a potent, ATP site-directed inhibitor of the TβRI kinase, an important and novel drug target for fibrosis and cancer. The first detailed report of a TβRI kinase small molecule co-complex confirms the predicted binding interactions of our small molecule inhibitor, which stabilizes the inactive kinase conformation. Our results validate shape-based screening as a powerful tool to discover useful leads against a new drug target.
