Functionalized Boron Nitride Nanotube as Nanovector for Drug Delivery of Collagen Amino Acids: a density functional approach

We perform Density Functional Theory studies for investigate the interaction of collagen amino acids with (5,5) armchair and (8, 0) zigzag boron nitride nanotubes (BNNTs). Based on calculated results, the BNNTs can act as a suitable drug delivery vehicle of amino acids in biological systems. Our study results indicated that the adsorption and solvation energies were negative for (5,5)/(8,0) BNNTs–amino acid complexes implying the thermodynamic favorability and spontaneous interactions of amino acids with BNNTs sidewall. These results were very relevant in order to detect the potential applications of functionalized BNNTs as drug delivery systems