Nanoparticles’ distinct properties have aided in the resolution of a wide range of environmental issues. The direct release of pharmaceutical drugs into water streams raises concerns about the potential hazardous impact on human health and aquatic ecosystems. Nanomaterials have proven to show an effective treatment of wastewater by eliminating and degrading the unused drugs released from households, industries, hospitals, and other locations. This chapter focuses on the features and benefits of nanomaterials in eliminating drug impurities through conventional and green innovative procedures. Furthermore, the drug removal mechanisms such as adsorption, photocatalytic degradation, and biodegradation, as well as the function of various nanomaterials based on the dimensionality (0D, 1D, 2D, 3D, and hybrid), are also discussed in detail. Thus, this chapter gives insightful information about the potential of nanomaterials for the elimination of pharmaceutical pollutants from wastewater, discussing the cutting-edge research articles for environmental remediation.