Vol. 5, Issue 1, Part A (2023)

Natural products have been an essential component of sustaining civilizations due to their medicinal properties. Serendipitous past discoveries of bioactive natural products have served as a model for the creation of analogs with desired physicochemical features. There are many bioactive natural compounds with medicinal potential in nature, some of which are inaccessible to standard techniques of study. In the case of natural products, the value of computational techniques as flexible instruments for aiding drug discovery and development has been acknowledged for decades without exception. The importance of computer-aided drug design of phyto-components and how researchers still rely on these computational tools for the quick discovery of attractive drug candidate molecules. We also discussed molecular docking phytochemicals like flavonoids, alkaloids and terpenoids. The identification of preclinical drug candidate molecules and the structural elucidation of pharmacological drug targets have hastened the development of both structure-based and ligand-based drugs.