Drug delivery by nanomaterials is an active emergent research area and CNTs draws considerable potential application owing to its unique quasi one-dimensional structure and electronic properties. Single walled carbon nanotubes and carbon fullerenes can be used in drug delivery due to their mechanical and chemical stability. The past few years, increasing attention by several reputed groups has been devoted on functionalization of carbon nanotube s ( CNT s).In this paper, we reported the effects of covalently binding isoniazid, an metformin molecule to functionalized carbon nanotube. In this work, binding energies, energies of solvation, computational-chemistry molecule descriptors with use density function theory(DFT) method and 6-31G*,6-31G** basis set were calculated. The results show to covalently bind isoniazid to functionalized carbon nanotubes suitable for carrier’s metformin molecule. We have performed DFT calculations for f-SWCNTs in order to assess their roles as nanovectors for drug delivery of metformin. Manuscript profile

In this study, adsorption behavior of a tyrosine molecule on the external surface of Aluminum nitride Nanotubes and aluminum nitride which have seen with one silica atom by using Density Functional theory (DFT) has been studied. We can mention the optimized energy, NMR, NBO, changes in bond length from calculated parameters in this study in the gas phase and solvent phase. Bond energy shows that adsorption of the molecule on the aluminum nitride nanotube hybrid by silica atom is better than pure aluminum nitride nanotube and it can be proved, according to the results of NMR, NBO. The software used in this calculation, software Gauss view are Gaussian. According to results of a seen aluminum nitride nanotube with a silica atom that can be used in transferring of molecule tyrosine. Obtained energy for transferring tyrosine molecule is by aluminum nitride nanotube (-9554.0617 hartree) and energy for transferring tyrosine molecule is by a seen aluminum nitride nanotube with a silica atom (-9554.123 hartree). Manuscript profile