Supramolecular encapsulation of a Rho kinase inhibitor by cucurbit[7]uril
作者单位：State Key Laboratory of Quality Research in Chinese Medicine Institute of Chinese Medical Sciences University of Macau
会议名称：《全国第十八届大环化学暨第十届超分子化学学术讨论会》
会议日期：2016年
学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学]
基 金：University of Macau Research Fund(SRG2014-00025-QRCM-ICMS) Macau Science and Technology Development Fund(FDCT/020/2015/A1)
关 键 词：Cucurbituril Rho kinase inhibitor Host-guest interaction
摘 要：Fasudil,a Rho kinase(ROCK)inhibitor that has shown a great potential in protection of the central nervous system by promoting neurite outgrowth,is encapsulated by cucurbit[7]uril(CB[7])in 1:1 stoichiometry with the binding affinity of 2.2(±0.12)×13 M and 4.28(±0.21)×10 M under physiological and acidic conditions,respectively.A p Ka shift of 2.91 of the guest drug