【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。更多还原

【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.更多还原