In Silico Investigation of Chemical Components of Fragaria ananassa Species as Aphrodisiac Agents for Erectile Dysfunction

Abstract

Sterols, Polyphenols, and flavonoids have a major role in erectile dysfunction. The molecular docking of phytochemical constituents of Fragaria ananassa fruit with human phosphodiesterase 5 (1UDT), human arginase II (4I06), human aromatase (5JKV), D2 dopamine receptor (6CM4) compared with sildenafil citrate. Using BIOVIA Discovery studio, ligand clusters were prepared, and PyRX software was used for molecular docking (Auto dock-Vina). Using PyMOL, the Protein-Ligand Complex was generated, and the 2D- interactions were obtained from BIOVIA Discovery studio. Most of the Phyto-constituents showed better binding affinity than sildenafil citrate. All 58 components have better GI absorption which ranges from 0% to 100%. The physicochemical, pharmacokinetics (ADME), and toxicity properties of bioactive molecules were evaluated to confirm their drug-likeness property. Most of the fifty-eight components are non-toxic and hence this study concludes that only certain sterols, polyphenols, and flavonoids from Fragaria ananassa fruit shows significant effects on erectile dysfunction.