Investigation into Brain Chemistry and the Chemical Hardness of Antidepressants : Application of the Hard-Soft Acid-Base (HSAB) Theory to Aid in Antidepressant Drug Development

Abstract

Antidepressants are prescribed to countless individuals worldwide to treat depression. It is crucial to understand brain chemistry and how various parts of the brain interact with different antidepressants. In the present study, using the Blugold Supercomputing Cluster, quantum chemical calculations have been performed to determine the chemical hardness of common antidepressants; chemical hardness is an important chemical property that provides information about molecular reactivity and selectivity. The present study provides an insight into the receptors within the human brain that interact with antidepressants following the Hard-Soft Acid-Base theory. The preliminary results of this computational study are presented here. The successful completion of this project could help develop new drug molecules with more specificity towards the target receptor and will have a more direct and immediate effect on patients dealing with prolonged depression.