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

  • Usha, Talambedu (DBT-BIF facility, Department of Biotechnology, Maharani Lakshmi Ammanni College For Women) ;
  • Goyal, Arvind Kumar (Bamboo Technology, Bodoland University) ;
  • Lubna, Syed (DBT-BIF facility, Department of Biotechnology, Maharani Lakshmi Ammanni College For Women) ;
  • Prashanth, H.P. (Department of Biotechnology, Sapthgiri College of Engineering) ;
  • Mohan, T. Madhan (Biotechnology Information Centre, Department of Biotechnology) ;
  • Pande, Veena (Department of Biotechnology, Kumaun University) ;
  • Middha, Sushil Kumar (DBT-BIF facility, Department of Biotechnology, Maharani Lakshmi Ammanni College For Women)
  • Published : 2015.01.06

Abstract

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

Keywords

Punica granatum;ingredients;pharmMapper;reversescreen 3D;bioassay database;autodock pyrx

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