Computational & experimental evaluation of the structure/activity relationship of β-carbolines as DYRK1A inhibitors was written by Drung, Binia;Scholz, Christoph;Barbosa, Valeria A.;Nazari, Azadeh;Sarragiotto, Maria H.;Schmidt, Boris. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2014.Application of 146436-31-9 The following contents are mentioned in the article:
DYRK1A has been associated with Down’s syndrome and neurodegenerative diseases, therefore it is an important target for novel pharmacol. interventions. We combined a ligand-based pharmacophore design with a structure-based protein/ligand docking using the software MOE in order to evaluate the underlying structure/activity relationship. Based on this knowledge we synthesized several novel β-carboline derivatives to validate the theor. model. Furthermore we identified a modified lead structure as a potent DYRK1A inhibitor (IC50 = 130 nM) with significant selectivity against MAO-A, DYRK2, DYRK3, DYRK4 & CLK2. This study involved multiple reactions and reactants, such as 1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (cas: 146436-31-9Application of 146436-31-9).
1-Isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (cas: 146436-31-9) belongs to indole derivatives. Indole exists overwhelmingly in the 1H-indole form as do other simple indoles. In addition to indole, the strain-release chemistry worked for numerous substrates including amines, alcohols, thiols, carboxylic acids, imidazoles, and pyrazoles.Application of 146436-31-9
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Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles