857620-79-2Relevant academic research and scientific papers
Structure-based design of nonpeptide inhibitors of interleukin-1β converting enzyme (ICE, Caspase-1)
Shahripour, Aurash B,Plummer, Mark S,Lunney, Elizabeth A,Albrecht, Hans P,Hays, Sheryl J,Kostlan, Catherine R,Sawyer, Tomi K,Walker, Nigel P.C,Brady, Kenneth D,Allen, Hamish J,Talanian, Robert V,Wong, Winnie W,Humblet, Christine
, p. 31 - 40 (2002)
A novel class of reversible inhibitors of Interleukin-1β-converting enzyme (ICE, caspase-1) were discovered by iterative structure-based design. Guided by the X-ray crystal structure of analogues 1, 7 and 10 bound to ICE, we have designed a non-peptide series of small molecule inhibitors. These compounds incorporate an arylsulfonamide moiety which replaces Val-His unit (P3-P2 residues) amino acids of the native substrate. The synthesis of the core structure, structure-activity relationships (SARs), and proposed binding orientation based on molecular modeling studies for this serie of ICE inhibitors are described. Copyright
