Design, synthesis and docking models of estrogen and androgen receptor antagonists

The purpose of this work is to develop a further understanding of the structure and function of estrogen and androgen receptor with the goal of drug design in hand. We employed both docking and homology modeling strategies to examine receptor structure and function. In addition, a number of compounds were prepared and evaluated for antagonist properties and binding affinity. A homology model was constructed based on glucocorticoid receptor that was modestly predictive in determining desirable binding qualities among a series of androgen receptor antagonists. A mechanism for receptor folding and an explanation of binding events is proposed.