Multidimensional De Novo Design Reveals 5-HT2B Receptor-Selective Ligands was written by Rodrigues, Tiago;Hauser, Nadine;Reker, Daniel;Reutlinger, Michael;Wunderlin, Tiffany;Hamon, Jacques;Koch, Guido;Schneider, Gisbert. And the article was included in Angewandte Chemie, International Edition in 2015.Application of 827-01-0 This article mentions the following:
The authors report a multi-objective de novo design study driven by synthetic tractability and aimed at the prioritization of computer-generated 5-HT2B receptor ligands with accurately predicted target-binding affinities. Relying on quant. bioactivity models the authors designed and synthesized structurally novel, selective, nanomolar, and ligand-efficient 5-HT2B modulators with sustained cell-based effects. The authors’ results suggest that seamless amalgamation of computational activity prediction and mol. design with microfluidics-assisted synthesis enables the swift generation of small mols. with the desired polypharmacol. In the experiment, the researchers used many compounds, for example, 5-Chloroindole-3-carboxaldehyde (cas: 827-01-0Application of 827-01-0).
5-Chloroindole-3-carboxaldehyde (cas: 827-01-0) belongs to indole derivatives. In addition to tryptophan, indigo, and indoleacetic acid, numerous compounds obtainable from plant or animal sources contain the indole molecular structure. They are capable of binding to a variety of receptors with high affinity and thus have applications in a wide range of therapeutic areas.Application of 827-01-0
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Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles