3D-QSAR Analysis and Molecular Docking Studies of Novel a7 nAChR Antagonists

摘要：

The neuronal a7 nicotinic acetylcholine receptor (nAChR) was proposed as a potential therapeutic target for a broad range of neurodegenerative and psychiatric diseases. Although extensive efforts have been taken to identify selective a7 nAChR agonists, the development of a7 selective antagonists was still relatively limited. Recently, two distinct families of small molecules were discovered as novel a7 nAChR antagonists based on pharmacophore virtual screening and exhibited good selectivity for the neuronal a7 subtype nAChRs and brain penetration ability.

关键词： nicotinic acetylcholine receptors a7 antagonists 3D-QSAR molecular docking interaction model

作者: Wei Peng Weiwei Zhang Shuo Sun Hongxia Duan Xinling Yang

作者单位: Department of Applied Chemistry, College of Science, China Agricultural University,Yuanmingyuan West Road No. 2, Haidian District, Beijing, 100193, P. R. China

会议类型: 国际会议

会议名称: Proceedings of 4th Internatioanl Symposium on Pesticides and Environmental Safety & 5th Pan Pacific Conference on Pesticide Science & 8th International Workshop on Crop Protection Chemistry and Regulatory Harmonization (四届农药与环境安全会)

会议地点: 北京

会议语种:英文

页码: 326

在线出版日期: 2012-09-15（万方平台首次上网日期，不代表论文的发表时间）