Identification of Anti-Cancer Targets of Eco-Friendly Waste Punica granatum Peel by Dual Reverse Virtual Screening and Binding Analysis

Abstract

<b>Background:</b> Punica granatum (family: Lythraceae) is mainly found in Iran, which is considered to be itsprimary centre of origin. Studies on pomegranate peel have revealed antioxidant, anti-inflammatory, antiangiogenesisactivities, with prevention of premature aging and reducing inflammation. In addition to this it isalso useful in treating various diseases like diabetes, maintaining blood pressure and treatment of neoplasms suchas prostate and breast cancer. <br/><b>Objectives</b>: In this study we identified anti-cancer targets of active compoundslike corilagin (tannins), quercetin (flavonoids) and pseudopelletierine (alkaloids) present in pomegranate peelby employing dual reverse screening and binding analysis. Materials and <br/><b>Methods</b>: The potent targets of thepomegranate peel were annotated by the PharmMapper and ReverseScreen 3D, then compared with targetsidentified from different Bioassay databases (NPACT and HIT’s). Docking was then further employed usingAutoDock pyrx and validated through discovery studio for studying molecular interactions. <br/><b>Results</b>: A numberof potent anti-cancerous targets were attained from the PharmMapper server according to their fit score andfrom ReverseScreen 3D server according to decreasing 3D scores. <br/><b>Conclusion</b>: The identified targets now needto be further validated through in vitro and in vivo studies.