In silico technique was applied to screen potential of 16 compounds of 5,5-dimethylthiohydantoin\nderivatives as androgen antagonist. The 3D structure of the protein was obtained from PDB database.\nDocking analysis of the compounds was performed using hex docking. Molecular modeling\nanalysis exhibits relatively low LUMO-HOMO energy gap of the studied molecules, indicating that\nit would be kinetically stable. None of the compounds violated Lipinski�s parameters, making them\npotentially promising agents for biological activities. The title compounds exhibited the lowest\ndocking energy of protein-ligand complex. Finally, the results indicate that these compounds are\npotentially as an androgen antagonist, and expected to be effective in prostate cancer treatment.
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