New discoveries in chemical research and development in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 372-38-3, Name is 1,3,5-Trifluorobenzene, molecular formula is C6H3F3. In an article, author is Celik, Ismail,once mentioned of 372-38-3, Product Details of 372-38-3.
In this study, p-tert-butyl at position 2 and acetamide bridged 4-substituted piperazine/piperidine at position 5 bearing benzoxazole derivatives were evaluated for their in vitro inhibitory activity against AChE, BChE and Tyrosinase, which are important targets in reducing the adverse effects of Alzheimer’s disease. The most active 1 g inhibited the BChE at a concentration of 50 mu M by 54 +/- 0.75%. Molecular docking studies of the compounds against BChE (PDB: 4BDS) were performed with Schrodinger and AutoDock Vina and the results were compared. Schrodinger docking scores were found to be more consistent. Estimated ADME profiles and bioactivity scores of the compounds were calculated and found to be compatible with Lipinski and other limiting rules. Geometric optimization parameters, MEP analysis and HUMO and LUMO quantum parameters of the most active 1 g were calculated by using DFT/B3LYP theory and 6-311 G (d,p) base set and results was viewed.
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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem