Molecular dynamic (MD) simulations have been carried out to study the effects of the nanostructures on the interfacial heat and mass transfer at the solid-liquid interface. The liquid particles near saturation are confined in two solid surfaces with nanostructures in a shape of molecular-scale unevenness. It is found that the interfacial thermal resistance decreases but the hydrodynamic resistance increases at the nanostructured surfaces in comparing with the flat surface. The heat flux across the nanostructured solid-liquid interface increases corresponding to the increasing surface area and thus, effective heat transfer enhancement has been achieved by the effects of nanostructures.