The shape of a molecule is important because it is a feature that often determines the fate of a compound regarding molecular interactions. Pharmacology methods have also observed that determining molecular shape is important in drug discovery, virtual screening and predictive toxicology.
The shape of a molecule determines the way it behaves in nature, and molecular shapes are described by using geometrical terminology. The very nature of a molecule is dependent upon the shape as well as the electron shift in bonding. The shape of a molecule influences the physical and chemical properties of the elements involved.
Determining the shape of a molecule is essential to understanding molecules in chemical reactions. Enzymes have the ability to differentiate between functioning molecule groups by shape recognition. Bio-synthetic pathways that produce natural products use shape recognition for selective oxidation.
Chemical shape recognition also plays an essential role in the use of the five senses. Many studies have supported the idea that molecular shape is important to biological activity. Molecular shape is useful in describing molecules individually, as well as the nature of interactions between molecules.
Computational methods used by molecular pharmacology enable fast comparisons to be made between small molecules and small molecules with protein receptor sites.