Dimer-based QSAR Studies of Novel crs-Neonicotinoids: The Roles of Molecular Aggregation State of Bioactive Compounds with Water

摘要：

Numerous molecules could aggregate together to get more power through intermolecular nonbonding interactions such as hydrogen interactions tz-k bonds, electrostatic interactions, hydrophobic interactions, and so on. Diverse aggregation states of bioactive compounds contribute to different biological or chemical properties. Water molecules have been found can form bridge between compounds and targets through hydrogen bonding networks in the binding site. In other word, these compounds exert their bio-function through molecular aggregation states with water.

关键词： molecular aggregation state czs-neonicotinoid QSAR

作者: Shuang Xia Jiagao Cheng Xusheng Shao Xiaoyong Xu Zhong Li Xuhong Qian

作者单位: Shanghai Key Laboratory of Chemical Biology, School of Pharmacy, East China University of Science and Technology, PO Box 544, 130 Meilong Road, Shanghai 200237, 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: 401

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）