Zheng YY, Xie P, Zhang J, Li JQ, Guo L, Yu LP, Zhou B
[Design, synthesis and bioactivity of aryl piperazine benzo[b][1,4]oxazine derivatives].
Yao xue xue bao = Acta pharmaceutica Sinica. 2012 Jun 01; 47: 755-63.
Compounds with serotonin reuptake inhibition/5-HT(1A) dual activity were used to build 3D pharmacophore model as a training molecules by Discover Studio. Based on the model, 8 novel aryl piperazine benzo[b][1,4] oxazine derivatives were designed and synthesized, and their structures were confirmed by 1H NMR and HR-MS. Biological evaluation illustrated that compounds VI(1) and VI(7) showed potent functional activities at both 5-HT transporter and 5-HT(1A) receptor, which can be used as lead compounds to guide future research of design and synthesis of potent novel compounds.