A MOLECULAR MODELING STUDY ON THE HORMONE-BINDING SITE OF THE ESTROGEN-RECEPTOR

Using molecular modelling techniques, the structures of ligands with h igh affinity to the estrogen receptor were investigated. In order to d etermine the biologically active conformations and orientations within the hormone binding site a comparative study on the basis of molecula r shapes and molecular fields was performed. The corresponding pharmac ophore provides the basis for an amino acid model of the hormone bindi ng site. Based on this model several experimental data can be understo od.