1306233-16-8Relevant academic research and scientific papers
A novel potential therapeutic avenue for autism: Design, synthesis and pharmacophore generation of SSRIs with dual action
Ghoneim, Ola M.,Ibrahim, Diaa A.,El-Deeb, Ibrahim M.,Lee, So Ha,Booth, Raymond G.
, p. 6714 - 6723 (2011/12/21)
Autism symptoms are currently modulated by Selective Serotonin Reuptake Inhibitors (SSRIs). SSRIs slow onset of action limits their efficiency. The established synergistic activity of SSRIs and 5HT1B/1D autoreceptors antagonists motivated us to incorporate SSRIs and 5HT1B/1D antagonists in one 'hybrid' molecule. A library of virtual 'hybrid' molecules was designed using the tethering technique. A pharmacophore model was generated derived from 16 structurally diverse SSRIs (Ki = 0.013-5000 nM) and used as 3D query. Compounds with fit values (≥2) were chosen for synthesis and subsequent in vitro biological evaluation. Our pharmacophore model is a promising milestone to a class of SSRIs with dual action.
