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Hoffmann, R. A wiki for the life sciences where authorship matters. Nature Genetics (2008)
 

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The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands.

New arylpiperazines related to buspirone, gepirone and NAN-190 were designed and screened in silico for their 5-HT(1A) affinity and potential sites of metabolism by human cytochrome p450 (CYP3A4). Modifications to these structures were assessed in silico for their influence on both 5HT(1A) affinity and metabolism. Selected new molecules were synthesized and purified in a parallel chemistry approach to determine structure activity relationships (SARs). The resulting molecules were assessed in vitro for their 5HT(1A) affinity and half-life in a heterologously expressed human CYP3A4 assay. Molecular features responsible for 5-HT(1A) affinity and CYP3A4 stability are described.[1]

References

  1. The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands. Tandon, M., O'Donnell, M.M., Porte, A., Vensel, D., Yang, D., Palma, R., Beresford, A., Ashwell, M.A. Bioorg. Med. Chem. Lett. (2004) [Pubmed]
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