Fullerene effect on chemical properties of antihypertensive clonidine in water phase

Today considerable advances have been achieved in application of nano-particles. Fullerene is one of the artificial forms of carbon element. Long life cycle of medicines in the human body is a success factor in delivery of medicine to the specific place. Lots of nanoparticles are being developed in this field and from a medical point of view, achieving such goals is vital. The aim of this study was to investigate the effect of fullerene chemical properties of antihypertensive clonidine drug in water by density functional theory (DFT) methods. This study was carried out using computerized calculations of Gaussian program in Becke 3-parameters Lee-Yang-Parr (B3lyp/6-31g level in water on clonidine drug and its fullerene connected form. Impact of fullerene on an anti-blood pressure medicine known as clonidine was analyzed as changes in some properties including energetic levels, stability, Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) levels, chemical hardness, and electrophilicity properties. Clonidine lowers blood pressure by decreasing the levels of certain chemicals in blood. This allows blood vessels to relax and the heart to beat more slowly and easily. Results indicated that combining medicine and C 60 considerably decreases the energy level and increases the bipolar momentum. Therefore, solubility and reacting ability of the medicine increases in solution phase of the water. Totally, combining fullerene structure to an anti-blood pressure medicine, like clonidine, as a nano-carrier enhances the reaction ability of the medicine and it gains more solubility properties in the human body.