Computational drug design tools have become indispensable in the quest for new drugs. There is hardly any drug discovery program where computational methods are not employed, be it structure‐based or ligand‐based methods. Numerous drug targets have been explored for discovery of new drugs using computational methods. In recent times, discovery of newer and selective phosphodiesterase as medications for inflammatory disorders, CNS disorders, and many other diseases has been the focus of many research groups worldwide. Most of these groups have employed computational methods of drug design and discovery at different stages of their research. This chapter reviews the reported application of computational methods used in the discovery and development of phosphodiesterase inhibitors.
Part of the book: Quantitative Structure-activity Relationship