Molecular Docking Studies of Annomuricin E and Muricapentocin on Antiproliferation Activity

  • ROSA ADELINA Kemenkes RI


Various natural compounds have been reported to be used as anticancer, however their modes of action have not been clearly defined. One of the plant compounds is acetogenin which can induce apoptosis in in vitro study. Two new acetogenins discovered in Annona muricata are annomuricin E and muricapentocin. Molecular docking is one of in silico model to screen coumponds based on their mechanism to protein. Therefore, the two compounds were docked using PLANTS 1.1 to see the affinity to proliferation protein, Protein Kinase C. The RMSD calculations of the best predicting binding site gave 1.3906 Å. The molecular docking results of native ligand (07u), annomuricin E, and muricapentocin are -71.161; -127.739; and -116.868. It showed that annomuricin E has the best in silico affinity to Protein Kinase C, and has better ability to inhibit proliferation as compared to the native ligand and muricapentocin.


1. Yayasan Kanker Indonesia. YKI-Jakarta race [serial online]. 2012. diambil dari URL: diakses 29 November, 2012.
2. Thuluvath PJ, Choti M, Geschwind JF, Norwitz L, and Kalloo AN. Liver cancer [serial online]. 2006. diambil dari URL: diakses 12 Februari, 2012.
3. Singletary K, McDonald C, Tovinelli M, Fisher C, Wallig M. Effect of the diketones diferuloylmethane (curcumin) and dibenzoilmethane on rat mammary DNA adduct and tumors induced by 7,12-dimethylbenz[a]anthracene. Carcinogenesis. 1998. 9(6):1039-43.
4. Yaar, Mina, Eller, Mark S, Panova I, Kubera J, et al. Telomeric DNA induces apoptosis and senescence of human carcinoma cells. Breast Cancer Research. 2007. 9:R13.
5. Gibbs JB. Anticancer drug targets: Growth factor and growth factor signaling. Journal of Clinical Investigation. 2000. 105(1):9-13.
6. Phosritong N and Ungwitayatorn. Molecular docking study on anticancer activity of plant-derived natural products. Medical Chemistry Research. 2010. 19:817-35.
7. Chang FR and Wu YC. Novel cytotoxic annonaceous acetogenins from Annona muricata. Journal of Natural Products. 2001. 64:925–31.
8. Yuan SF, Chang H, Chen H, Yeh Y, Kao YH, Lin KH, et al. Annonacin, a mono-tetrahydrofuran acetogenin, arrests cancer cells at the G1 phase and causes cytotoxicity in a Bax- and caspase-3-related pathway. Life Science. 2003. 72(25):2853-61.
9. Kim G, Zeng L, Alali F, Rogers LL, Wu F, McLaughlin JL, et al. Two new mono-tetrahydrofuran ring acetogenins, annomuricin E and muricapentocin, from the leaves of Annona muricata. American Chemical Society and American Society of Pharmacognosy. 1998. 97(00534):S0163-3864.
10. Chih H, Chiu HF, Tang KS, Chang FR, Wu YC. Bullatacin, a potent antitumour annonaceous acetogenin, inhibits proliferation of human hepatocarcinoma cell line 2.2.15 by apoptosis induction. Life Science. 2001. 69:1321–31.
11. Teicher BA. Protein kinase C as a therapeutic target. Clinical Cancer Research. 2006. 12:5336-45.
12. Korb O, Stutzle T, Exner TE. PLANTS: Protein-ligan ANT system. 2012. diambil dari URL: diakses 12 Februari, 2012.
13. Prasojo SL, Hartanto FA, Yuniarti N, Ikawati Z, Istyastono EP. Docking of 1-Phenylsulfonamide-3Trifluoromethyl-5-parabromophenyl-pyrazole to cyclooxygenase-2 using PLANTS. Indonesian Journal of Chemistry. 2010. 10(3):348-51.
14. Marcou G and Rognan D. Optimizing fragment and scaffold docking by use of molecular interaction fingerprints. Journal of Chemical Information and Modeling. 2007. 47(1):195-207.
How to Cite
ADELINA, ROSA. Molecular Docking Studies of Annomuricin E and Muricapentocin on Antiproliferation Activity. JURNAL ILMU KEFARMASIAN INDONESIA, [S.l.], v. 12, n. 1, p. 32-36, apr. 2014. ISSN 2614-6495. Available at: <>. Date accessed: 26 mar. 2023.