Category: pyridine-derivatives. In 2019.0 BIOORG CHEM published article about QUINOLINE BASED CHALCONES; MOLECULAR DOCKING; ADME EVALUATION; DRUG DISCOVERY; DESIGN; AGENTS; CYTOTOXICITY; PREDICTION; HYBRIDS; ELECTRONEGATIVITY in [Polo, Efrain; Ibarra-Arellano, Nicol; Prent-Penaloza, Luis; Gutierrez, Margarita] Univ Talca, Lab Sintesis Organ, Inst Quim Recursos Nat, Casilla 747, Talca 3460000, Chile; [Morales-Bayuelo, Alejandro] Univ Sinu, Ciencias Salud, Grp Invest Basicas & Clin Univ Sinu GIBACUS, Secc Cartagena, Cartagena, Colombia; [Henao, Jose] Univ Ind Santander, Grp Invest Quim Estruct GIQUE, Escuela Quim, Fac Ciencias, AA 678,Carrera 27,Calle 9 Ciudadela Univ, Bucaramanga, Colombia; [Galdamez, Antonio] Univ Chile, Dept Quim, Fac Ciencias, Santiago 7800003, Chile in 2019.0, Cited 90.0. The Name is 3-Pyridinecarboxaldehyde. Through research, I have a further understanding and discovery of 500-22-1.
The chalcone and bis-chalcone derivatives have been synthesized under sonication conditions via Claisen-Schmidt condensation with KOH in ethanol at room temperature (20-89%). The structures were established on the basis of NMR, IR, Single-crystal XRD, and MS. The best compound 3u had inhibitory activity (IC50 = 7.50 mu M). The synthesis, the antioxidative properties, chemical reactivity descriptors supported in Density Functional Theory (DFT), acetylcholinesterase (AChE) inhibition and their potential binding modes, and affinity were predicted by molecular docking of a number of morpholine-chalcones and quinoline-chalcone. A series of bis-chalcones are also reported. Molecular docking and an enzyme kinetic study on compound 3u suggested that it simultaneously binds to the catalytic active site (CAS) and peripheral anionic site (PAS) of AChE. Moreover, the pharmacokinetic profile of these compounds was investigated using a computational method.
Category: pyridine-derivatives. About 3-Pyridinecarboxaldehyde, If you have any questions, you can contact Polo, E; Ibarra-Arellano, N; Prent-Penaloza, L; Morales-Bayuelo, A; Henao, J; Galdamez, A; Gutierrez, M or concate me.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem