Kronenberger, Thales published the artcileDesign, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors, Related Products of catalysis-chemistry, the publication is Bioorganic & Medicinal Chemistry (2020), 28(15), 115600, database is CAplus and MEDLINE.
The fragment MB872 I [R1 = H; R2 = 3-C(O)OH; W = O; Y = CH2] was used as a prototype for analog development by bioisosterism/retro-bioisosterism, which resulted in substituted 3-benzoic acid derivatives I [R1 = H, OH, OMe, NO2; R2 = 3-C(O)OH, 4-C(O)OH, 3-C(O)OMe, 4-C(O)OMe, 3-NO2; W = O, S, NH, CH2; Y = O, CH2]. Compounds I were active against MtDHFR, with IC50 values ranging from 7 to 40¦ÌM, where compound I [R1 = H; R2 = 3-C(O)OH; W = NH; Y = CH2] not only had the best inhibitory activity (IC50 = 7¦ÌM), but also was 71-fold more active than the original fragment MB872. The compound I [R1 = H; R2 = 3-C(O)OH; W = NH; Y = CH2] inhibition kinetics indicated an uncompetitive mechanism, which was supported by mol. modeling which suggested that the compounds I could access an independent backpocket from the substrate and competitive inhibitors. Thus, based on these results, substituted 3-benzoic acid derivatives I had strong potential to be developed as novel MtDHFR inhibitors and also anti-TB agents.
Bioorganic & Medicinal Chemistry published new progress about 31719-76-3. 31719-76-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 4-(Phenoxymethyl)benzoic acid, and the molecular formula is C14H12O3, Related Products of catalysis-chemistry.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia