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Yao Xue Xue Bao. 2012 Jun;47(6):755-63.

[Design, synthesis and bioactivity of aryl piperazine benzo[b][1,4]oxazine derivatives].

[Article in Chinese]

Author information

  • 1Shanghai Institute of Pharmaceutical Industry, Shanghai 200040, China.


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.

[PubMed - indexed for MEDLINE]
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