Structure-activity relationships

Structure-activity relationships (SAR) is a method used in medicinal chemistry to understand the relationship between a molecular structure and its biological activity. The concept is based on the observation that similar molecules often have similar activities.

Overview[edit | edit source]

The principle of SAR is to modify the structure of a molecule and observe the changes in its biological activity. This can help to identify which parts of the molecule are important for its activity and which parts are not. This information can then be used to design more effective drugs or to predict the activity of new molecules.

History[edit | edit source]

The concept of structure-activity relationships dates back to the 19th century, when scientists first began to understand the relationship between the structure of a molecule and its properties. However, it was not until the 20th century that the concept was formalized and widely adopted in the field of medicinal chemistry.

Methods[edit | edit source]

There are several methods used in SAR studies, including quantitative structure-activity relationship (QSAR) studies, which use mathematical models to predict the activity of molecules, and qualitative structure-activity relationship (QSAR) studies, which use qualitative observations to understand the relationship between structure and activity.

Applications[edit | edit source]

SAR is used in a wide range of applications, from drug discovery and development to environmental science and toxicology. In drug discovery, for example, SAR can be used to optimize the structure of a drug to increase its effectiveness or reduce its side effects.