Gold nanoclusters, consisting of a few to several hundred Au atoms with a core size below 2 nm, have attracted worldwide attention in the biomedicine because of their supernormal physicochemical properties and excellent biocompatibility. In recent years, significant efforts have been devoted to the development of gold nanoclusters for diagnostic and therapeutic applications. In this review, we focus on the research progress and new prospects in this field, and introduce the burgeoning advances on the utilization of gold nanoclusters for disease-related diagnostic (involving biological analysis, and biological imaging), and therapeutic applications. Based on these efforts, we also discussed the future development of functionalized gold nanoclusters for theranostic applications. With the deepening of research, we expect versatile gold nanoclusters to become an essential platform for biomedical applications.