Identification of anti-cancer targets of eco-friendly waste Punica granatum peel by dual reverse virtual screening and binding analysis

Asian Pacific Journal of Cancer Prevention

Volumn 15, Issue 23, 2014, Pages 10345-10350

  Usha, Talambedu ^a   Goyal, Arvind Kumar ^b   Lubna, Syed ^a   Prashanth, H P ^c   Madhan Mohan, T ^d   Pande, Veena ^e   Middha, Sushil Kumar ^a  

^a Maharani Lakshmi Ammanni College for Women   (India)

^b BODOLAND UNIVERSITY   (India)

^c R V COLLEGE OF ENGINEERING   (India)

^d Biotech Centre   (India)

^e KUMAUN UNIVERSITY   (India)

Author keywords

Autodock pyrx; Bioassay database; Ingredients; PharmMapper; Punica granatum; Reversescreen 3D

Indexed keywords

ALKALOID; ANTINEOPLASTIC AGENT; CORILAGIN; FLAVONOID; GLUCOSIDE; ISOPELLETIERINE; PIPERIDINE DERIVATIVE; QUERCETIN; TANNIN; TANNIN DERIVATIVE;

COMPUTER SIMULATION; DRUG DEVELOPMENT; FRUIT; HUMAN; LYTHRACEAE; METABOLISM; MOLECULAR DOCKING; MOLECULARLY TARGETED THERAPY; NEOPLASMS;

ALKALOIDS; ANTINEOPLASTIC AGENTS; COMPUTER SIMULATION; DRUG DISCOVERY; FLAVONOIDS; FRUIT; GLUCOSIDES; HUMANS; HYDROLYZABLE TANNINS; MOLECULAR DOCKING SIMULATION; MOLECULAR TARGETED THERAPY; NEOPLASMS; PIPERIDINES; PUNICACEAE; QUERCETIN; TANNINS;

EID: 84921808780     PISSN: 15137368     EISSN: None     Source Type: Journal    
DOI: 10.7314/APJCP.2014.15.23.10345     Document Type: Article

References (27)

1. Akbarpour V, Hemmati K, Sharifani M (2009). Physical and chemical properties of pomegranate (Punica granatum L) fruit in maturation stage. Am-Eurasian J Agri Env Sci, 6, 411-16.
2. Aras A, Khokhar AR, Qureshi MZ, et al (2014). Targeting cancer with nano-bullets: curcumin, EGCG, resveratrol and quercetin on flying carpets. Asian Pac J Cancer Prev, 15, 3865-71.
3. Bhattacharjee B, Vijayasarathy S, Karunakar P, et al (2012). Comparative reverse screening approach to identify potential anti-neoplastic targets of saffron functional components and binding mode. Asian Pac J Cancer Prev, 13, 5605-11.
4. Buckley A (2012). Quercetin: broad-spectrum protection, life extension magazine.
5. Dikmen M, Ozturk N, Ozturk Y (2011). The antioxidant potency of Punica granatum L. fruit peel reduces cell proliferation and induces apoptosis on breast cancer. J Med Food, 14, 1638-46.
6. Hao Ye, Li Ye, Kang H, et al (2011). HIT: linking herbal active ingredients to targets. Nucleic Acids Res, 39, 1055-59.
7. Hong MY, Seeram NP, Heber D (2008). Pomegranate polyphenols down-regulate expression of androgen-synthesizing genes in human prostate cancer cells overexpressing the androgen receptor. J Nut Biochem, 19, 848-55.
8. Jurenka J (2008). Therapeutic applications of pomegranate (Punica granatumL.): a review. Alternative Med Rev, 13, 128-44.
9. Kanatt SR, Chander R, Sharma A (2010). Antioxidant and antimicrobial activity of pomegranate peel extract improves the shelf life of chicken products. Int J Food Sci Tech, 45, 216-22.
10. Kinnings SL, Jackson RM (2009). LigMatch: a multiple Structure-based ligand matching method for 3D virtual screening. J Chem Infor Model, 49, 2056-66.
11. Kinnings SL, Jackson RM (2011). ReverseScreen3D: A structure-based ligand matching method to identify protein targets. J Chem Infor Model, 51, 624-34.
12. Lamson DW, Brignale MS (2000). Antioxidants and cancer III: quercetin. Alt Med Rev, 5, 196-208.
13. Lydia J, Sudarsanam D (2014). Docking of a Cyprus rotundus compound '15-Hydroxy-4-oxo-10-pentadecynoic acid lactone' with antidiabetic drug targets: A comparative study. Int J Fund Applied Sci, 3, 17-22.
14. Mangal M, Sagar P, Singh H, Raghava G P S, et al (2013). NPACT: Naturally occurring plant-based anti-cancer compound-activity-target database. Nucleic Acids Res, 41, 1124-9.
15. Middha SK, Goyal AK, Faizan SA, et al (2013). In-silico based combinatorial pharmacophore modelling and docking studies of GSK-3β and GK inhibitors of Hippophae. J Biosci, 38, 805-14.
16. Middha SK, Usha T, Pande V (2013a). Pomegranate peel attenuates hyperglycemic effects of alloxan-induced diabetic rats. EXCLI J, 13, 223-24.
17. Middha SK, Usha T, Pande V (2013b) HPLC evaluation of phenolic profile, nutritive content and antioxidant capacity of extracts obtained from Punica granatum fruit peel. Adv Pharmacol Sci, 2013, 296236.
18. Middha SK, Usha T, Pande V (2013c). A review on antihyperglycemicand anti-hepatoprotective activity of ecofriendly Punica granatum peel waste. Evid Based Complement Alternat Med, 2013, 656172.
19. Middha SK, Usha T, Ravikiran T (2012) Influence of Punica granatum L. on region specific responses in rat brain during Alloxan-Induced diabetes. Asian Pac J Tropical Biomed. 20, 905-9.
20. Parmar HS, Kar A (2008) Medicinal values of fruit peels from Citrus sinensis, Punica granatum, and Musa paradisiaca with respect to alterations in tissue lipid peroxidation and serum concentration of glucose, insulin, and thyroid hormones. J Med Food, 11, 376-81.
21. Puzyn T, Leszczynski J, Cronin MTD (2010). In silico approaches for predicting ADME properties. Recent Advances in QSAR Studies, 8, 283-304.
22. Reddy GD, Kumar KNVP, Duganath N, et al (2012). ADMET, Docking studies & binding energy calculations of some novel ACE-inhibitors for the treatment of diabetic nephropathy. Int J Drug Development Res, 4, 268-82.
23. Sharma M, Naik PK (2013) To study the mode and mechanism of interaction of Angiopoietin II with receptor tyrosine kinase Tie-2 using molecular mechanics and molecular dynamics approach. Int J Fundamental Applied Sci, 2, 8-11.
24. Suri C, Naik PK (2012). Elucidating the precise interaction of reduced and oxidized states of neuroglobin with Ubc12 and Cop9 using molecular mechanics studies. Int J Fundamental Applied Sci, 1, 74-7.
25. Usha T, Akshya L, Kundu S, et al (2013). An updated version of phytomellitus database. Int J Fundamental Applied Sci, 2, 29.
26. Usha T, Middha SK, Goyal AK, et al (2014) Molecular docking studies of anti-cancerous candidates in Hippophae rhamnoides and Hippophae salicifolia. J Biomed Res, 28, 406-15.
27. Welsh J, Wietzke JA, Zinser GM, et al (2003) Nutritional genomics in cancer processes: Vitamin D-3 receptor as a target for breast cancer prevention. J Nut, 133, 2425-33.