Yapıya-dayalı ilaç dizayn yöntemi ile prostat kanserine tedavisine yönelik ilaç geliştirilmesi

Structure-Based Drug Design is a powerful method for designing inhibitors with high specificity. This method can be used for diseases where a single biochemical or structural function can be targeted for treatment. Structure-Based Drug Design has been successful in developing drug for several diseases involving hypertension, influenza, cancer and AIDS.In this thesis, the objective is to design novel inhibitors for the treatment of prostate cancer using structure-based drug design approach. Prostate Cancer is the most common malignancy among males. There are several treatment procedures for prostate cancer. However, many cases are left untreated due to severe side effects and resulting decrease in quality of life. Nonetheless, inhibition of a single enzyme, CYP17, offers a specific treatment possibility with very low risk of side effects. Molecular dynamics methods are used to validate the model structure of CYP17. Computational tools for molecular docking are employed for discovering and developing novel agents inhibiting CYP17. Experimental approaches are followed for testing biological activity and toxicity of these molecules.