Fullerene effect on chemical properties of antihypertensive clonidine in water phase

Abstract

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.