Nanodiamond powder is one of the most promising carbon nanomaterials for drug delivery applications. Diamond nanoparticles of ~5 nm in size offer a large accessible surface and tailorable surface chemistry; have unique optical, mechanical, and thermal properties; and are non-toxic. Although the potential of nanodiamond in drug delivery has been demonstrated, fundamental mechanisms, thermodynamics, and kinetics of drug adsorption on nanodiamond are still poorly understood. To fully exploit the potential of nanodiamond in drug delivery, attention must be paid to its purity, surface chemistry, dispersion quality, as well as to temperature, ionic composition, and other parameters of the environment that may influence drug adsorption and desorption on nanodiamond. Surface modification of nanodiamond and its effects on adsorption equilibria of several important drugs representative of different classes, including antibiotics and anticancer chemotherapeutics, such as tetracycline, polymyxin B, doxorubicin, and others, are currently being explored by our group. With the help of biologists and the Shanghai Advanced Research institute (Shanghai, China), we are working towards integrating these ND-based drug delivery systems into the body to fight infection and disease.