Molecular Pharmacology studies the biochemical and biophysical characteristics of the interactions between drugs and cell targets. In a way, it is molecular biology applied to pharmacological and toxicological questions. Molecular pharmacology methods include physical, molecular biology and chemical techniques to understand how cells respond to hormones or pharmacological agents, and how their chemical structure correlates with their biological activity.

In the institute, the different lines of work studying the molecular aspects of the function of different drugs are mainly focused on the discovery and validation of new molecular targets whose intervention has therapeutic potential, the discovery of new drugs with biological activity and the study of the combination of drugs of current use in situations or novel combinations.