Premium
Cover Picture: Protein‐Structure‐Based Prediction of Animal Model Suitability for Pharmacodynamic Studies of Subtype‐Selective Estrogens (ChemMedChem 11/2006)
Author(s) -
Toschi Luisella,
Hilbig Jochen,
Wintermantel Tim,
Engelhaupt Adelheid,
Walter Alexander,
Fritzemeier KarlHeinrich,
Hillisch Alexander
Publication year - 2006
Publication title -
chemmedchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200690039
Subject(s) - agonist , ligand (biochemistry) , estrogen receptor , chemistry , computational biology , methionine , in vivo , cover (algebra) , animal model , amino acid , stereochemistry , receptor , biology , biochemistry , genetics , endocrinology , cancer , breast cancer , mechanical engineering , engineering
The cover picture shows a model of the binding pocket of the estrogen receptor (ER) occupied by 8β‐VE 2 , a steroidal ERβ‐selective agonist. As illustrated by the model, a single amino acid, methionine, accounts for the ERβ selectivity of this compound class. An exchange to leucine at this position in some animal species, depicted in the sequence alignment, generates unfavorable interactions with 8β‐VE 2 . Therefore, knowledge about the structure of the protein–ligand complex can be used to predict suitable animal models for in vivo pharmacological studies with this ligand class. For more details, see the Full Paper by L. Toschi et al. on p. 1237 ff.