| 三环酯类化合物抗N作用的分子药理学研究 |
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| 引用本文： | 高守海,恽榴红.三环酯类化合物抗N作用的分子药理学研究[J].科技通报,1996,12(5):302-304. |
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| 作者姓名： | 高守海 恽榴红 |
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| 作者单位： | 军事医学科学院毒物药物研究所 |
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| 摘 要： | 通过对三环羟基羧酸酯类抗胆碱能物的构象分析，并结合量子化学计算结果以及它们抗Ｎ作用的活性强度，研究了三环酯类化合物抗Ｎ作用的分子药理学。结果表明：在三环酯类抗胆碱能化合物中，三环部分结构的改变对中枢抗Ｎ作用的影响不如对抗Ｍ作用的影响大；化合物分子的ＨＯＭＯ轨道能级和氮原子的静电荷超高其中枢抗Ｎ作用越强。
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| 关 键 词： | 三环酯类 抗N作用 分子药理学 抗胆碱能药物 |
Molecular Pharmacology of Antinicotinic Activity of Tricyclic Anticholinergic Esters |
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| Gao Shouhai, Yun Liuhong, Cai Yuchun, Yu Guihua.Molecular Pharmacology of Antinicotinic Activity of Tricyclic Anticholinergic Esters[J].Bulletin of Science and Technology,1996,12(5):302-304. |
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| Authors: | Gao Shouhai Yun Liuhong Cai Yuchun Yu Guihua |
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| Abstract: | The molecular pharmacology of the antinicotinic activity of the tricyclic anticholinergic esters were studied on the basis of the conformational analysis,and with combination of the quantum chemistry calculation andtheir antinicotinic activity. The results showed that the changes in the tricyclic structures of these compoundswould cause less influence on the antinicotinic activity than on the antimuscarinic activity;the energy of thehighest occupied orbital(EHOMO) and the net charge of the nitrogen atom in the compounds were the main factors affecting their antinicotinic activity. Besides,the existence of the a-hydroxy group in the carboxylic partwas necessary for increasing their antinicotinic activity,it was also an effective group for the interactions between the compounds and the nicotinic receptor. |
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| Keywords: | tricyclic anticholinergic esters antinicotinic activity antimuscarinic activity molecularpharmacology conformational analysis quantum chemistry calculation |
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