72722-66-8Relevant articles and documents
Multidimensional de novo design reveals 5-HT2B receptor-selective ligands
Rodrigues, Tiago,Hauser, Nadine,Reker, Daniel,Reutlinger, Michael,Wunderlin, Tiffany,Hamon, Jacques,Koch, Guido,Schneider, Gisbert
supporting information, p. 1551 - 1555 (2015/01/30)
We 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 quantitative bioactivity models we designed and synthesized structurally novel, selective, nanomolar, and ligand-efficient 5-HT2B modulators with sustained cell-based effects. Our results suggest that seamless amalgamation of computational activity prediction and molecular design with microfluidics-assisted synthesis enables the swift generation of small molecules with the desired polypharmacology.
Studies on 2(1H)-quinolinone derivatives as neuroleptic agents. I. Synthesis and biological activities of (4-phenyl-1-piperazinyl)-propoxy-2(1H)-quinolinone derivatives
Banno,Fujioka,Kikuchi,Oshiro,Hiyama,Nakagawa
, p. 4377 - 4388 (2007/10/02)
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