| 氟喹诺酮类药物与牛血清白蛋白结合的理论研究 |
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| 引用本文： | 何嫦,黄蓉,盛柳钦,闫华. 氟喹诺酮类药物与牛血清白蛋白结合的理论研究[J]. 广东化工, 2011, 38(10): 226-227,231 |
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| 作者姓名： | 何嫦 黄蓉 盛柳钦 闫华 |
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| 作者单位： | 台州学院医药化工学院,浙江临海,317000 |
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| 基金项目： | 台州市教科规划重点课题(GZ11008) |
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| 摘 要： | 在HF/6-31G水平对12种氟喹诺酮类药物分子进行量子化学计算,用ALOGPS 2.1程序计算了它们的正辛醇/水分配系数logP。相关性分析表明,氟喹诺酮与牛血清白蛋（BSA）主要靠静电作用相结合。通过多元线性回归建立了氟喹诺酮与BSA结合作用的定量构效关系（QSAR）模型。
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| 关 键 词： | 氟喹诺酮 牛血清白蛋白（BSA） 理论 相互作用 定量构效关系（QSAR） |
Interactions between Fluoroquinolones and Bovine Serum Albumin:Theory Method |
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| He Chang,Huang Rong,Sheng Liuqin,Yan Hua. Interactions between Fluoroquinolones and Bovine Serum Albumin:Theory Method[J]. Guangdong Chemical Industry, 2011, 38(10): 226-227,231 |
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| Authors: | He Chang Huang Rong Sheng Liuqin Yan Hua |
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| Affiliation: | He Chang,Huang Rong,Sheng Liuqin,Yan Hua(School of Pharmaceutical and Chemical Engineering,Taizhou University,Linhai 317000,China) |
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| Abstract: | The quantum chemistry method was employed to calculate the molecular geometries and electronic structures of 12 fluoroquinolones at the HF/6-31G level,and ALOGPS 2.1 software was used to calculate n-octanol/water partition coefficient(logP) of them.Correlation analysis showed that electrostatic forces played a major role in the interaction between fluoroquinolones and bovine serum albumin(BSA).Multiple linear regression analysis was adopted to establish the QSAR model of fluorequinolones-BSA interaction. |
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| Keywords: | Fluoroquinolones bovine serum albumin(BSA) theory interaction quantitative structure-activity relactionship(QSAR) |
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