Natural products possess a diverse range of structures and can interact with different biological targets. This makes them highly appealing in the field of drug discovery, as they offer a promising avenue for the development of effective drugs to treat a variety of chronic conditions. The limited ability of many natural compounds to be absorbed and utilized by the body, due to factors such as poor water solubility and lipophilicity, diverse molecular size, and structural unstable in the cellular microenvironment, has hindered their application in clinical settings. Additionally, these compounds are quickly eliminated from the body and metabolized rapidly. To overcome these problems, drug delivery systems or technologies have been evolved to improve their biological needs. Generally, nanosized drug delivery systems provide a relatively large surface area increasing dissolution properties and can overcome physiological barriers. Active and passive targeting can be perfect for the functional nano-drugs. The drug delivery system can deliver the drugs to target tissues by captivating the advantage of the unique pathophysiological environment such as inflamed and tumor vasculature. The retention and permeation of nanocarriers depend on the vector surface and its properties. The unique/intriguing strategy is to design these nanocarriers to identify and bind to specific receptors of the cell through ligand-receptor interactions. In the past decades, significant efforts have been made to develop nano-based drug delivery systems to surge the bioavailability and activities of natural products. Although many synthetic or semi-synthetic nanocarriers were approved for clinical trials, the nanocarriers loaded/conjugated with natural products were limited.