Inhibition of Phosphodiesterase 5 Enzyme by Pterine- 6 Carboxylic Acid from Baphia nitida –Related to Erectile Dysfunction: Computational Kinetic
Wopara, Iheanyichukwu *
Department of Medical Biochemistry, Faculty of Basic Medical Sciences, PAMO University of Medical Sciences, Nigeria.
S. K. Mobisson
Department of Human Physiology, Faculty of Basic Medical Sciences, Madonna University, Nigeria.
Egelege Aziemeola Pius
Department of Public Health, Faculty of Health Sciences, Imo State University, Owerri, Nigeria.
A. A. Uwakwe
Department of Biochemistry, Faculty of Sciences, University of Port Harcourt, Nigeria.
M. O. Wegwu
Department of Biochemistry, Faculty of Sciences, University of Port Harcourt, Nigeria.
*Author to whom correspondence should be addressed.
Abstract
Treatment of erectile dysfunction is associated with inhibition of Phosphodiesterase 5 enzyme. This study deals with the evaluation of Pterin-6-carboxylic acid inhibitory activity on phosphodiesterase 5 (PDB ID: 4OEW) using in silico docking studies. Pterin-6-carboxylic acid from Baphia nitida was isolated using GC-MS and docked into PDE5 active site. The docking result showed that pterin-6-carboxylic acid bind to the active site of phosphodiesterase 5 with the binding energy value of -7.1 and 2.05A° - 2.23A° when compared with other compound found in the plant. Moreso, docking analysis with the ligand identified specific residues such as: Ile 778, Phe 820, Gln 817, Ser 815 and Gln 775 within the binding pocket which played an important role in the ligand binding affinity to the protein. Result from our In silico studies hypothesized that pterin-6-carboxylic acid can be an inhibitory agent for PDE5 protein which could be a potential drug candidate for the treatment of erectile dysfunction.
Keywords: Pterin-6-carboxylic acid, Baphia nitida, molecular docking and erectile dysfunction.