Developing New Drug Antagonist for Alpha Adrenergic Receptors for Hypertension Diseases

Abstract

Alpha-adrenergic receptors play a vital role in the regulation of blood pressure(BP). Hypertension referred as blood pressure above the normal range. hyper tension can cause severe complications such as stroke, coronary heart disease and kidney failure. Phentolamine is a potential antagonist for a. Alpha-adrenergic receptor. New phentolamine derivatives will be developed through FEP (Free Energy perturbation) methods. AMBER Force fields will apply for energy Calculation. Molecular modeling includes energy minimization, molecular dynamics, mounte-carlo simulations and QSAR properties will be performed for all phentolamine analogs. The interactions studies between alpha - adrenergic Receptor and Phentolamine analogs in solvent mode and protein complex mode will be performed. The best antagonist for alpha-Adrenergic Receptor will be identified.