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化学进展 2009, Vol. 21 Issue (0203): 335-339 前一篇   后一篇

• 环境化学专辑 •

环境内分泌干扰物的定量结构-活性相关研究*

季力; 高士祥; 王晓栋; 张爱茜; 王连生**   

  1. (南京大学环境学院污染控制与资源化研究国家重点实验室　南京210093)
  • 收稿日期:2008-12-15 出版日期:2009-03-24 发布日期:2009-04-03
  • 通讯作者: 王连生 E-mail:ecls@nju.edu.cn
  • 基金资助:

    国家自然科学基金

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QSAR Study of Endocrine Disrupting Chemicals

Ji Li; Gao Shixiang; Wang Xiaodong; Zhang Aiqian; Wang Liansheng**   

  1. (State Key Laboratory of Pollution Control and Resource Reuse , School of the Environment , Nanjing University , Nanjing 210093 , China)
  • Received:2008-12-15 Online:2009-03-24 Published:2009-04-03
  • Contact: Wang Liansheng E-mail:ecls@nju.edu.cn

环境内分泌干扰物(简称为EDCs)由于能够干扰人类和野生动物内分泌系统的正常功能，对人类和野生动物种群的生存和持续繁衍造成严重威胁，而成为国际研究热点。鉴于人工合成化学品种类繁多、结构复杂，发展定量结构–活性相关的快速筛选方法，对环境中污染物进行筛选和评价，具有重要的实际意义。本文综述了环境内分泌干扰物的定量结构–活性相关最新研究进展，尤其是针对雌激素的研究，并对不同的方法作了一些比较，最后展望了其发展方向及其在我国的应用前景。

关键词： 环境内分泌干扰物, 定量结构–活性相关, 虚拟筛选

Endocrine disrupting chemicals (EDCs) are of great concern due to the interruption to normal function of endocrine systems and therefore the challenge to the existence and reproduction of human beings and wild animals. While the complexity and structural diversity of man–made compounds considered, Quantitative structure–activity relationships (QSARs) based fast screening approaches are urgently needed for the assessment of the potential risk of EDCs. In this review, we try to generalize the substantial body of work and the latest study progress in the published literature related to QSAR models for EDCs, and also compare them. Special attention is placed on the estrogen, for which the greatest amount of relevant information is known at present. At last, the potential development direction of QSARs on EDCs and application prospect in China are forecasted.

Contents
1 Introduction
2 CoMFA models based on ER interaction
3 Other QSAR models based on ER interaction
4 QSAR models based on other nuclear receptor subfamilies
5 Conclusion

Key words: endocrine disrupting chemicals (EDCs), quantitative structure-activity relationship (QSAR), virtual screening

中图分类号: 

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