Fullerene effect on chemical properties of antihypertensive clonidine in water phase

  Purpose: 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.   Materials and 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.   Results: 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.   Conclusion: 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.