Журнал компьютерных наук и системной биологии

Involvement of Cissus populnea Derived Compounds in Phosphodiesterase Pathway in Erectile Dysfunction: In Silico Study

Abstract

Moses Orimoloye Akinjiyan*, Olusola Olalekan Elekofehinti, Ayomide Precious Ajiboro, Elizabeth Foluke Awodire, Adeodotun Olayemi Oluwatuyi and Stephen Adeleke Adesida

Erectile Dysfunction (ED) has been a threat among couples and is one of the challenging disorders in Nigeria and the world. Various drugs targeting Phosphodiesterase 5 (PDE5) inhibition like Pyrazinopyridoindole (Tadalafil), have been used for the treatment of ED but, they are associated with side effects such as headache, diarrhea, back pain, and stomach upset among others. Medicinal plants are now being explored for the treatment of various diseases and disorders including ED because they are affordable with little or no side effects. Cissus populnea (CP) is a popular plant in Nigeria used in the management of ED but there is a paucity of information on the mechanisms involved. In this study, Schrodinger suites were employed for docking of thirty-eight CP phytocompounds gotten from HPLC analysis and works of literature against Phosphodiesterase PDE5, a key enzyme in the erection pathway. Seven leading compounds were found to have higher docking scores and binding affinity compared to Pyrazinopyridoindole (Tadalafil), with 9-octadecenoic acid, having the highest docking score of -13.078 Kcal/mol. The hit compounds were further subjected to ADME prediction. The findings suggested that C. populnea compounds are potential drug candidates with better hit than Tadalafil in managing ED and merit additional investigation.