| Literature DB >> 15026055 |
Manish Tandon1, Mary-Margaret O'Donnell, Alex Porte, David Vensel, Donglai Yang, Rocio Palma, Alan Beresford, Mark A Ashwell.
Abstract
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.Entities:
Mesh：
Substances：
Year: 2004 PMID： 15026055 DOI： 10.1016/j.bmcl.2004.01.045
Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823