Mermer, Arif published the artcileBenzotriazole-oxadiazole hybrid Compounds: Synthesis, anticancer Activity, molecular docking and ADME profiling studies, Recommanded Product: 2-Methylbenzoic acid, the publication is Journal of Molecular Liquids (2022), 119264, database is CAplus.
Herein the designed novel benzotriazole-oxadiazole hybrid compounds were synthesized using both conventional method and ultrasound sonication (US) as an environmentally friendly method. It was observed that the US method provided an increase in reaction yields by reducing the reaction time approx. 3-fold. The synthesized compounds were investigated against PANC-1 cell line. All obtained compounds were characterized by FT-IR, 1H NMR, 13C NMR and MS spectroscopic techniques. The compounds 1-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H1,2,3-benzotriazole and 1-{[5-(3,4-dietoksiphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H1,2,3-benzotriazole exhibited very promising anticancer activity results with IC50 values of 117.5 ¡À 0.084 ¦ÌM and 87.82 ¡À 4.319 ¦ÌM, resp. Further, mol. docking studies to suggest how the synthesized compounds interact with the kinase domain of human DDR1 in complex of pancreatic Cancer proteins (PDB ID: 6HP9), and the crystal structure of PDEd of pancreatic Cancer proteins (PDB ID: 5E80). It was concluded from the docking studies that the compound 1-{[5-(3,4-dietoksiphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H1,2,3-benzotriazole demonstrated the highest binding score values for active site of both proteins. Afterwards, ADME calculations were performed to examine the drug properties of benzotriazole-oxadiazole hybrid compounds
Journal of Molecular Liquids 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 C8H8O2, Recommanded Product: 2-Methylbenzoic acid.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia