Enzyme inhibitors are an important therapeutic agent in drug discovery, as they can be used to manipulate biochemical pathways to treat a wide range of diseases. Current strategies for enzyme inhibition involve the use of small molecule inhibitors, natural products, or peptide-based inhibitors. These inhibitors can be used to target and modulate the activity of enzymes, which in turn can affect the progression of a particular disease. The future of enzyme inhibitor-based drug discovery lies in the development of more selective and potent inhibitors, as well as the ability to target enzymes that are involved in multiple pathways. Additionally, there is significant potential for the use of enzyme inhibitors in combination with other therapeutic strategies, such as gene therapy. Finally, the development of novel computational strategies for the design and optimization of enzyme inhibitor-based drugs is an exciting area of research. Such strategies could lead to the discovery of new and more effective inhibitors, which would facilitate the development of improved treatments for a variety of diseases. Hence, this review focuses on some techniques for the discovery of enzyme inhibitors and their applications as various therapeutic agents.