Rational Design of Multi-Target Estrogen Receptors ERα and ERβ by QSAR Approaches

doi:10.2174/1389450117666160401125542

摘要

雌激素在各种靶组织的生长、发育和稳态中起着至关重要的作用，雌激素受体（ER）介导的生物学效应。为了更好的了解与结合相关ER调制器的结构特点，本文提出了定量结构活性–概述（QSAR），迄今为止进行的研究估计或预测不同配体的活性对其两个已知的亚型（ERα和ERβ）。并且指出这些建模研究的应用的最新进展。最后，目前的挑战，可能会导致新的且令人兴奋的研究方向进行了定量构效关系建模。

关键词: 雌激素受体，QSAR建模，虚拟筛选，多任务学习，ERα

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Current Drug Targets

Title:Rational Design of Multi-Target Estrogen Receptors ER_α and ER_β by QSAR Approaches

Volume: 18 Issue: 5

关键词: 雌激素受体，QSAR建模，虚拟筛选，多任务学习，ERα

摘要: Estrogens play a crucial role in the growth, development, and homeostasis of various target tissues, their biological effects being mediated by the estrogen receptor (ER). In order to get a better understanding of the structural features of the modulators associated with the binding to ER, this paper provides an overview of the Quantitative Structure–Activity (QSAR) studies performed so far for estimating or predicting the activity of different ligands towards its two known subtypes (ER_α and ER_β). Recent progresses in the application of these modeling studies are additionally pointed out. Finally, ongoing challenges that may lead to new and exciting directions for QSAR modeling studies in this field are discussed.

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Cite this article as:

Rational Design of Multi-Target Estrogen Receptors ER_α and ER_β by QSAR Approaches, Current Drug Targets 2017; 18 (5) . https://dx.doi.org/10.2174/1389450117666160401125542

DOI https://dx.doi.org/10.2174/1389450117666160401125542	Print ISSN 1389-4501
Publisher Name Bentham Science Publisher	Online ISSN 1873-5592