The investigation of different properties of MgSO4 Drug and Carbon Nano Cones

One of the exciting classes of nano materials is Carbon Nano Cones (CNCs), which possesscharacteristics suitable for many applications as delivery vehicles of biologically importantmolecules in view of possible biomedical applications, such as Drug delivery [1-7]. The goalof this study was to examine the binding of MgSO4 Drug was put covalently to CNC with (5,1) structure and length of 100A to use Chem Office software , Hyper Chem and Gaussian 09package [8-11]. Simulation was done in MM+, AMBER and OPLS force fields by MonteCarlo method. Geometrical optimizations of Drug-CNC, Volume, Surface Area , dipolemoment and binding energies [12] parameters calculated for MgSO4 Drug- Carbon NanoCone were carried out in gas phase and water solvent with HF/6-31g* for all atoms.