Flavonoids in Benign Prostate Hypertrophy: Identification in Herbal Preparations and Molecular Docking Approach

Abstract

The benefits of phytotherapy in Benign prostatic hyperplasia (BPH) are of interest where they may lack side effects at long-term therapy. Through plant-derived preparations are Saw palmetto and Pumpkin seed oil. Evidence suggests that fatty acids, phytosterols, tocopherols, and flavonoids are the active components responsible for alleviating BPH symptoms. Flavonoids are reported to inhibit BPH through different mechanisms. Reducing inflammation and lowering reactive oxygen species are amongst the proposed mechanisms. In vitro studies highlighted the role of flavonoids in 5-alpha reductase II (5ARII) inhibitory activity. In this study, herbal preparations known to treat BPH were subjected to LC/MS/MS analysis integrated with multiple reaction monitoring (MRM) to identify the content of flavonoids. A molecular docking study was conducted on the assigned flavonoids to predict the binding mode and interaction with the targeted 3D- crystal structure of the human 5ARII enzyme. Results showed the existence of seven flavonoids and a polyphenol compound. Sakuranetin, Isorhamnetin, and Chlorogenic acid were not reported before. Molecular docking outcomes revealed that Astragalin, Isoquercitrin, Quercetin, and Chlorogenic acid have similar binding affinity to the reference Finasteride compound. These findings suggest flavonoids as potent potential inhibitors of 5ARII and could proceed to in vitro investigations.