Investigation on the Binding Interaction Between Clomipramine and Doxepin with LeuT by Molecular Docking Analysis

摘要

Molecular docking is a computational method, has becoming an increasingly important tool for drug discovery. The drugs Clomipramine and Doxepin are selected and docked with the protein LeuT for docking analysis. Both the selected drugs are tricyclic antidepressant drugs. By using the protein Leucine Transporter the binding interactions are found for the molecule. The drug Clomipramine and Doxepin is used as a potent inhibitor of leucine transport (LeuT). LeuT is a stable, sodium-coupled Leucine transporter from the eubacterium Aquifex aeolicus. It is the only member of the neurotransmitter sodium symporter (NSS) and belongs to the family of secondary transporters. The lowest binding energy and the shortest distance between the different amino acids are resulted and tabulated. The computational method of molecular docking analysis is very interested for discovering new medicine for human health for the disease depression.