title: Rational Design of Multi-Target Estrogen Receptors ERα and ERβ by QSAR Approaches.
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.
authors.affiliation: Chemistry & Chemistry Engineering College, Yantai University, Yantai 264005, China.
authors.forename: Qi
authors.initials: Q
authors.lastname: Zhao
authors.affiliation: Chemistry & Chemistry Engineering College, Yantai University, Yantai 264005, China.
authors.forename: Yuxi
authors.initials: Y
authors.lastname: Lu
authors.affiliation: Chemistry & Chemistry Engineering College, Yantai University, Yantai 264005, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Zhao
authors.affiliation: Chemistry & Chemistry Engineering College, Yantai University, Yantai 264005, China.
authors.forename: Rongchao
authors.initials: R
authors.lastname: Li
authors.affiliation: Chemistry & Chemistry Engineering College, Yantai University, Yantai 264005, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Luan
authors.affiliation: LAQV@REQUIMTE/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal.
authors.forename: M Natalia D S
authors.initials: MN
authors.lastname: Cordeiro
mesh_terms: D000818:Animals; D019295:Computational Biology / Q000379:methods*; D017076:Computer-Aided Design; D015195:Drug Design; D047628:Estrogen Receptor alpha / Q000037:antagonists & inhibitors*; D047629:Estrogen Receptor beta / Q000037:antagonists & inhibitors*; D006801:Humans; D021281:Quantitative Structure-Activity Relationship
chemical_list: D047628:Estrogen Receptor alpha; D047629:Estrogen Receptor beta
keywords: ERα; ERβ; Estrogen receptor; QSAR modeling; multi-task learning; virtual screening