Studying the interaction of phosphodiesterase inhibitors in the treatment of Alzheimer s disease

Abstract: Phosphodiesterases are one of the causes of Alzheimer s disease. These enzymes mediate the hydrolysis of adenosine or guanosine monophosphate (cAMP or cGMP) that act as secondary messengers and play a key role in performance and cellular signaling. In this study, some phosphodiesterase (PDE4D) inhibitors have been investigated in the treatment of Alzheimer s disease. Five PDE4D inhibitors were selected and their structures were plotted by gaussview05. Optimization of each ligand was done by Gaussian09 software. The crystallographic Structure of PDE4D was taken from protein data bank (PDB ID:1Q9M). Then, molecular docking was performed by MOLEGRO Virtual Docker software. Compound (1) with the most negative binding energy to PDE4D (-199/569) was selected as the best one for binding to the active site of receptor.