Title:Rational Design of Multi-Target Estrogen Receptors ERα and ERβ 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 (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.