The work mainly concerns about computational molecular docking techniques, which can be used for the study of complexes between drug and biomacromolecule (protein). characterizations of such interactions lead to the understanding of the biological function of biomacromolecules and therapeutic effect of drugs, therefore, interest of many laboratories is focused on such study. In this work, I present application of molecular modeling, docking and ADMET techniques to screen potential of dimethylthiohydantoin derivatives as an androgen antagonist. Also, the compare between the title compounds and...