Application of 88495-54-9, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 88495-54-9, Name is (S)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid, SMILES is O=C([C@@H]1CN(C(OC(C)(C)C)=O)CCC1)O, belongs to piperidines compound. In a article, author is Celik, Ismail, introduce new discover of the category.
Evaluation of Activity of Some 2,5-Disubstituted Benzoxazole Derivatives against Acetylcholinesterase, Butyrylcholinesterase and Tyrosinase: ADME Prediction, DFT and Comparative Molecular Docking Studies
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.
Application of 88495-54-9, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 88495-54-9 is helpful to your research.
Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem