1209492-99-8Relevant articles and documents
Structure based drug design: Development of potent and selective factor IXa (FIXa) inhibitor
Wang, Shouming,Beck, Richard,Burd, Andrew,Blench, Toby,Marlin, Frederic,Ayele, Tenagne,Buxton, Stuart,Dagostin, Claudio,Malic, Maja,Joshi, Rina,Barry, John,Sajad, Mohammed,Cheung, Chiming,Shaikh, Shaheda,Chahwala, Suresh,Criandera, Chaman,Baumgartner, Christine,Holthoff, Hans-Peter,Murray, Elizabeth,Blackney, Michael,Giddings, Amanda
experimental part, p. 1473 - 1482 (2010/08/03)
On the basis of our understanding on the binding interactions of the benzothiophene template within the FIXa active site by X-ray crystallography and molecular modeling studies, we developed our SAR strategy by targeting the 4-position of the template to access the S1 β and S2-S4 sites. A number of highly selective and potent, factor Xa (FXa) and FIXa inhibitors were identified by simple switch of functional groups with conformational changes toward the S2-S4 sites.
