Discovery of novel P1 groups for coagulation factor VIIa inhibition using fragment-based screening was written by Cheney, Daniel L.;Bozarth, Jeffrey M.;Metzler, William J.;Morin, Paul E.;Mueller, Luciano;Newitt, John A.;Nirschl, Alexandra H.;Rendina, Alan R.;Tamura, James K.;Wei, Anzhi;Wen, Xiao;Wurtz, Nicholas R.;Seiffert, Dietmar A.;Wexler, Ruth R.;Priestley, E. Scott. And the article was included in Journal of Medicinal Chemistry in 2015.Category: isoquinoline This article mentions the following:
A multidisciplinary, fragment-based screening approach involving protein ensemble docking and biochem. and NMR assays is described. This approach led to the discovery of several structurally diverse, neutral surrogates for cationic factor VIIa P1 groups, which are generally associated with poor pharmacokinetic (PK) properties. Among the novel factor VIIa inhibitory fragments identified were aryl halides, lactams, and heterocycles. Crystallog. structures for several bound fragments were obtained, leading to the successful design of a potent factor VIIa inhibitor with a neutral lactam P1 and improved permeability. In the experiment, the researchers used many compounds, for example, 7-Nitro-3,4-dihydroisoquinolin-1(2H)-one (cas: 22245-96-1Category: isoquinoline).
7-Nitro-3,4-dihydroisoquinolin-1(2H)-one (cas: 22245-96-1) belongs to isoquinoline derivatives. Quinoline is a catabolite of tryptophan, the basic structure of some antihypertensive drugs, such as the peripheral vasodilators prazosin and doxazosin. Most traditional methods of generating isoquinoline do so via oxidative aromatization of dihydro- or tetrahydro-isoquinolines, usually offering some environmental or economic advantage.Category: isoquinoline
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem