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

Author(s): Qi Zhao, Yuxi Lu, Yan Zhao, Rongchao Li, Feng Luan, M. Natalia D.S. Cordeiro.

Journal Name: Current Drug Targets

Volume 18 , Issue 5 , 2017

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Abstract:

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 (ERα and ERβ). 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.

Keywords: Estrogen receptor, QSAR modeling, virtual screening, multi-task learning, ERα, ERβ.

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Article Details

VOLUME: 18
ISSUE: 5
Year: 2017
Page: [576 - 591]
Pages: 16
DOI: 10.2174/1389450117666160401125542
Price: $65

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