Formula: C7H8O2. Duncan, LF; Wang, GQ; Ilyichova, OV; Scanlon, MJ; Heras, B; Abbott, BM in [Duncan, Luke F.; Abbott, Belinda M.] La Trobe Univ, La Trobe Inst Mol Sci, Dept Chem & Phys, Melbourne, Vic 3086, Australia; [Wang, Geqing; Heras, Begona] La Trobe Univ, La Trobe Inst Mol Sci, Dept Biochem & Genet, Melbourne, Vic 3086, Australia; [Ilyichova, Olga, V; Scanlon, Martin J.] Monash Univ, Monash Inst Pharmaceut Sci, Med Chem, 381 Royal Parade, Parkville, Vic 3052, Australia; [Scanlon, Martin J.] Monash Univ, ARC Training Ctr Fragment Based Design, Monash Inst Pharmaceut Sci, 381 Royal Parade, Parkville, Vic 3052, Australia published The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors in 2019.0, Cited 42.0. The Name is m-Methoxyphenol. Through research, I have a further understanding and discovery of 150-19-6.
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.
About m-Methoxyphenol, If you have any questions, you can contact Duncan, LF; Wang, GQ; Ilyichova, OV; Scanlon, MJ; Heras, B; Abbott, BM or concate me.. Formula: C7H8O2
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles