In silico comparison between the mutated and wild-type androgen receptors and their influence on the selection of optimum androgenic receptor blockers for the treatment of prostate cancer

Background: Prostate cancer is a disease that occurs in men aged more than 50 years. In Iraq, 8.89 per 100,000 population suffer from prostate cancer, with the incidence being 14,016 cases and mortality 6,367 cases. Despite advances treatment against it can become resistant to drugs. Therefore, aim of current study was search identify binding sites for repositioning drugs by computational methods (docking). Methods: Based on protein structure wild androgen receptor, analysis parameters (22x22x22 X, Y, Z axes) were established. Results: The interactions natural ligands receptor 10.0 (testosterone) 10.8 (dihydrotestosterone) while mutated (T877A) had low affinity testosterone dihydrotestosterone (-5.3 -6.7, respectively). both receptors reported inhibitors (antagonists), decrease Bicalutamide (-8.3 -4.3, respectively) an increase Flutamide Nilutamide (-7.7 8.6, AR; -8.7 -9.3 AR T877A) observed. As Enzalutamide Apalutamide (second-generation antagonists), change minimal between T877A (-7.6 -7.7; -7.3 -7.3, shows how mutation alters bonds these molecules. Conclusion: identification key potent abnormal functions will enrich treatments.