Related Products of 87-41-2, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 87-41-2, Name is Isobenzofuran-1(3H)-one, SMILES is O=C1OCC2=C1C=CC=C2, belongs to benzofurans compound. In a article, author is Duncan, Luke F., introduce new discover of the category.
The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors
A fragment-based drug discovery approach was taken to target the thiol-disulfide oxidoreductase enzyme DsbA from Escherichia coli (EcDsbA). This enzyme is critical for the correct folding of virulence factors in many pathogenic Gram-negative bacteria, and small molecule inhibitors can potentially be developed as anti-virulence compounds. Biophysical screening of a library of fragments identified several classes of fragments with affinity to EcDsbA. One hit with high mM affinity, 2-(6-bromobenzofuran-3-yl)acetic acid (6), was chemically elaborated at several positions around the scaffold. X-ray crystal structures of the elaborated analogues showed binding in the hydrophobic binding groove adjacent to the catalytic disulfide bond of EcDsbA. Binding affinity was calculated based on NMR studies and compounds 25 and 28 were identified as the highest affinity binders with dissociation constants (K-D) of 326 +/- 25 and 341 +/- 57 mu M respectively. This work suggests the potential to develop benzofuran fragments into a novel class of EcDsbA inhibitors.
Related Products of 87-41-2, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 87-41-2 is helpful to your research.
Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem