Interactions between pairs of antimalarial drugs studied by experimental and ab initio (13)C NMR chemical shifts.
Interactions between pairs of antimalarial drugs studied by experimental and ab initio (13)C NMR chemical shifts.
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通过实验和从头算 (13)C NMR 化学位移研究抗疟药物对之间的相互作用。
DOI：
10.1002/mrc.1755
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
deDios,AngelC
中科院分区：
文献类型：
--
作者：
Casabianca,LeahB;deDios,AngelC
用~（13）C NMR研究了抗疟药氯喹（CQ）与阿莫地喹（AQ）、氯喹与奎宁（QN）、阿莫地喹与奎宁之间的相互作用。将化学位移的实验变化与非核依赖性化学位移进行比较，以确定溶液中每种药物对形成的复合物的最佳结构。发现CQ-AQ和CQ-QN复合物的结构与先前发现的药物二聚体的结构相似。另一方面，AQ-QN复合物的最佳溶液结构表明两种药物的喹啉环相对于彼此成一角度。版权所有© 2006约翰威利父子有限公司。
The interactions between the antimalarial drugs chloroquine (CQ) and amodiaquine (AQ), chloroquine and quinine (QN), and amodiaquine and quinine are studied by13C NMR. Experimental changes in chemical shift are compared to nucleus‐independent chemical shifts to determine the best structure of the complex formed by each drug pair in solution. Structures of the CQ–AQ and CQ–QN complexes are found to be similar to those found previously for the drug dimers. On the other hand, the best solution structure for the AQ–QN complex suggests that the quinoline rings of the two drugs are at an angle with respect to each other. Copyright © 2006 John Wiley & Sons, Ltd.