Estrogenic activity: An example of considering effectuation models in biological data interpretation and QSAR

Abstract

On a preliminary series of 1,2-dialkylated 1,2-bis(hydroxyphenyl)ethanes and -ethenes, the interrelations of affinity (pKD on estrogen receptor from calf uterus cytosol) and activity parameters (maximal estrogenic activity emax compared to estrone = 1, the Hill coeff. nH, and pD2 = log ED50) were investigated by principal component anal., leading to some first results about the structural dependence of the different steps of ligand-receptor interactions.