| 利尿剂三嗪衍生物的MINDO／3研究 |
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| 引用本文： | 郝金库,王桂林,崔云平,汤定华.利尿剂三嗪衍生物的MINDO／3研究[J].天津师范大学学报(自然科学版),1994(3). |
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| 作者姓名： | 郝金库 王桂林 崔云平 汤定华 |
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| 作者单位： | 天津师范大学化学系 |
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| 摘 要： | 本文用半径经验分子轨道法ＭＩＮＤＯ／３对利尿剂三嗪衍生物进行了研究，对药物的利尿活性指数和分子反应指标作了相关分析，并对药物分子和受体之间的相互作用进行了简要分析。结果表明：分子环内１─位碳原子Ｃ１和４─位氮原子Ｎ４的二级亲核前线电子密度ｆ１ｎ（Ｎ）、ｆ４ｎ（Ｎ）越大，其利尿活性也越大，具有较好的相关性。
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| 关 键 词： | 利尿剂，三嗪衍生物，MINDO／3 |
THE MINDO/3 STUDY ON THE DIURETIC TRIAZINE DERIVATIVES |
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| Hao Jinku,WangGuilin, Cui yunping, TangDinghua.THE MINDO/3 STUDY ON THE DIURETIC TRIAZINE DERIVATIVES[J].Journal of Tianjin Normal University(Natural Science Edition),1994(3). |
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| Authors: | Hao Jinku WangGuilin Cui yunping TangDinghua |
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| Institution: | Department of Chemistry. Tianjin Normal University |
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| Abstract: | The diuretic triazine derivatives have been studied using the Semiempirical Molecular Orbital method MINDO/3, the relationship of active index of diuresis and molecular reactive+ index and interaction between acceptors and diuretic molecule have been analysed. The results show that the more the second nucleophilic frontier electron density of carbon I and nitrogen 4 in molecular rings, the more the active index of diuresis of studied triazine derivatives, and good linear relation obtained. |
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| Keywords: | diuretic triazine derivatives MINDO/3 |
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