Zahra, Urage published the artcileNew acetylphenol-based acyl thioureas broaden the scope of drug candidates for urease inhibition: synthesis, in vitro screening and in silico analysis, HPLC of Formula: 118-90-1, the publication is International Journal of Biological Macromolecules (2022), 157-167, database is CAplus and MEDLINE.
In the present research, developed a new series of acetylphenol-based acyl thioureas I [R = t-Bu, 2-MeC6H4, 4-ClC6H4, etc.] that could potentially provide a new template for drug candidates to inhibit urease enzyme. Newly synthesized compounds I were evaluated for urease inhibitory strength using thiourea as a pos. control. In vitro inhibitory results revealed that all the tested compounds were significantly potent than the standard drug. The most active lead compound I [R =3-ClC6H4] competitively inhibited the enzyme and displayed an IC50 value of 0.054 ¡À 0.002¦ÌM, a ?413-fold strong inhibitory potential than thiourea (IC50 = 22.3 ¡À 0.031¦ÌM). Various insightful structure-activity relationships were developed showing the key structural requirements for potent inhibitory effects. Mol. docking anal. of compound I [R =3-ClC6H4] inside the active pocket of urease suggested several important interactions with amino acid residues such as ILE411, MET637, ARG439, GLN635, ALA636 and ALA440. Finally, pharmacokinetic properties suggested that the tested derivatives were safe to develop as low-mol.-weight drugs to treat ureolytic bacterial infections.
International Journal of Biological Macromolecules published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C9H12O, HPLC of Formula: 118-90-1.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia