ABSTRACT
ß-Sheet mediated protein-protein interactions are involved in key signalling pathways in diseases such as cancer. We present small molecule ß-strand mimetics and investigate their interactions with a model tripeptide. Using (1)H NMR, the thermodynamic parameters for their binding are determined. These give insight into this biologically important interaction.
Subject(s)
Proteins/chemistry , Biomimetic Materials/chemistry , Crystallography, X-Ray , Peptides/chemistry , Protein Multimerization , Protein Structure, Secondary , Proton Magnetic Resonance Spectroscopy , ThermodynamicsABSTRACT
In the crystal of the title mol-ecular salt (systematic name: 2-acetyl-pyridinium 2,5-dibromo-4-hydr-oxy-3,6-dioxocyclo-hexa-1,4-dienolate), C(7)H(8)NO(+)·C(6)HBr(2)O(4) (-), centrosymmetric rings consisting of two cations and two anions are formed, with the components linked by alternating O-Hâ¯O and N-Hâ¯O hydrogen bonds. Short Oâ¯Br contacts [3.243â (2) and 3.359â (2)â Å] may help to consolidate the packing.