DOI QR코드

DOI QR Code

Prediction and Analysis of Ligands against Estrogen Related Receptor Alpha

  • Published : 2013.04.30

Abstract

Breast cancer is one of the most common malignancies in women around the world. Among the various hormonal types of breast cancer, those that are estrogen receptor (ER) positive account for the majority. Among the estrogen related receptors, estrogen related receptor ${\alpha}$ is known to have a potential role in breast cancer and is one of the therapeutic target. Hence, prediction of novel ligands interact with estrogen related receptor alpha is therapeutically important. The present study, aims at prediction and analysis of ligands from the KEGG COMPOUND database (containing 10,739 entries) able to interact against estrogen receptor alpha using a similarity search and molecular docking approach.

Keywords

References

  1. Augustson EM, Barzani D, Rutten LJF, Marcus S (2008). Gender differences among hardcore smokers: an analysis of the tobacco use supplement of the current population survey. J Women Hlth, 17, 1167-73. https://doi.org/10.1089/jwh.2007.0535
  2. Abbasi S, Rasouli M, Nouri M, Kalbasi S (2013). Association of estrogen receptor-alpha A908G (K303R) mutation with breast cancer risk. Int J Clin Exp Med, 6, 39-49.
  3. Abdulrahman GOJr, Rahman GA (2012). Epidemiology of breast cancer in europe and Africa. J Cancer Epidemiol, 915610.
  4. Ariazi EA, Clark GM, Mertz JE (2002). Estrogen-related receptor alpha and estrogen-related receptor gamma associate with unfavorable and favorable biomarkers, respectively, in human breast cancer. Cancer Res, 62, 6510-8.
  5. Ariazi EA, Jordan VC (2006). Estrogen-related receptors as emerging targets in cancer and metabolic disorders. Curr Top Med Chem, 6, 203-15. https://doi.org/10.2174/1568026610606030203
  6. Bailey ST, Shin H, Westerling T, Liu XS, Brown M (2012). Estrogen receptor prevents p53-dependent apoptosis in breast cancer. Proc Natl Acad Sci USA, 109, 18060-5. https://doi.org/10.1073/pnas.1018858109
  7. Barone I, Brusco L, Fuqua SA (2010). Estrogen receptor mutations and changes in downstream gene expression and signaling. Clin Cancer Res, 16, 2702-8. https://doi.org/10.1158/1078-0432.CCR-09-1753
  8. Barry JB, Giguere V (2005). Epidermal growth factor-induced signaling in breast cancer cells results in selective target gene activation by orphan nuclear receptor estrogen-related receptor alpha. Cancer Res, 65, 6120-9. https://doi.org/10.1158/0008-5472.CAN-05-0922
  9. Berman HM, Henrick K, Nakamura H, et al (2007). Realism about PDB. Nat Biotechnol, 25, 845-6; author reply 846. https://doi.org/10.1038/nbt0807-845
  10. Bhoo-Pathy N, Yip CH, Hartman M, et al (2013). Breast cancer research in Asia: adopt or adapt Western knowledge? Eur J Cancer, 49, 703-9. https://doi.org/10.1016/j.ejca.2012.09.014
  11. Bjornstrom L, Sjoberg M (2005). Mechanisms of estrogen receptor signaling: convergence of genomic and nongenomic actions on target genes. Mol Endocrinol, 19, 833-42. https://doi.org/10.1210/me.2004-0486
  12. Bolton EE, Wang Y, Thiessen PA, SH B (2008). PubChem: integrated platform of small molecules and biological activities. Annu Rep Comput Chem, 4, 217-41. https://doi.org/10.1016/S1574-1400(08)00012-1
  13. Cheng F, Li W, Zhou Y, et al (2012). AdmetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties. J Chem Inf Model, 52, 3099-105. https://doi.org/10.1021/ci300367a
  14. Chisamore MJ, Wilkinson HA, Flores O, Chen JD (2009). Estrogen-related receptor-alpha antagonist inhibits both estrogen receptor-positive and estrogen receptor-negative breast tumor growth in mouse xenografts. Mol Cancer Ther, 8, 672-81. https://doi.org/10.1158/1535-7163.MCT-08-1028
  15. Choudhrya N, Deeksha K, Neha S, Aparajitac (2012). Breast cancer: a paradigm shift. Apollo Med, 9, 133-7. https://doi.org/10.1016/j.apme.2012.05.008
  16. Christina TT, Peggy RT (2011). Estrogen-Related Receptors and Breast Cancer: a Mini Review. Breast Cancer-Carcinogenesis, Cell Growth and Signalling Pathways, Prof. Mehmet Gunduz (Ed.), ISBN: 978-953-307-714-7.
  17. Curado MP (2011). Breast cancer in the world: incidence and mortality. Salud Publica de Mexico, 53, 372-84.
  18. Dallakyan S (2008-2010). PyRx-Python Prescription v.0.8. The Scripps Research Institute.
  19. DeBruin LS, Josephy PD (2002). Perspectives on the chemical etiology of breast cancer. Environ Health Perspect, 110, 119-28.
  20. Divekar SD, Storchan GB, Sperle K, et al (2011). The role of calcium in the activation of estrogen receptor-alpha. Cancer Res, 71, 1658-68. https://doi.org/10.1158/0008-5472.CAN-10-1899
  21. Duffy MJ (2001). Biochemical markers in breast cancer: which ones are clinically useful? Clin Biochem, 34, 347-52. https://doi.org/10.1016/S0009-9120(00)00201-0
  22. Dunnwald LK, Rossing MA, Li CI (2007). Hormone receptor status, tumor characteristics, and prognosis: a prospective cohort of breast cancer patients. Breast Cancer Res, 9, 6.
  23. Dwyer MA, Joseph JD, Wade HE, et al (2010). WNT11 expression is induced by estrogen-related receptor alpha and beta-catenin and acts in an autocrine manner to increase cancer cell migration. Cancer Res, 70, 9298-308. https://doi.org/10.1158/0008-5472.CAN-10-0226
  24. Huey R, Morris GM, Olson AJ, Goodsell DS (2007). A semiempirical free energy force field with charge-based desolvation. J Comput Chem, 28, 1145-52. https://doi.org/10.1002/jcc.20634
  25. Jemal A, Center MM, DeSantis C, Ward EM (2010). Global patterns of cancer incidence and mortality rates and trends. Cancer Epidemiol Biomarkers Prev, 19, 1893-907. https://doi.org/10.1158/1055-9965.EPI-10-0437
  26. Jiang Z, Guo J, Shen J, et al (2012). The role of estrogen receptor alpha in mediating chemoresistance in breast cancer cells. J Exp Clin Cancer Res, 31, 42. https://doi.org/10.1186/1756-9966-31-42
  27. Kanehisa M, Goto S, Kawashima S, Okuno Y, Hattori M (2004). The KEGG resource for deciphering the genome. Nucleic Acids Res, 32, 277-80. https://doi.org/10.1093/nar/gkh063
  28. Leclercq G, Lacroix M, Laios I, Laurent G (2006). Estrogen receptor alpha: impact of ligands on intracellular shuttling and turnover rate in breast cancer cells. Curr Cancer Drug Targets, 6, 39-64. https://doi.org/10.2174/156800906775471716
  29. Li Y, Meeran SM, Patel SN, et al (2013). Epigenetic reactivation of estrogen receptor-alpha (ERalpha) by genistein enhances hormonal therapy sensitivity in ERalpha-negative breast cancer. Mol Cancer, 12, 9. https://doi.org/10.1186/1476-4598-12-9
  30. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev, 46, 3-26. https://doi.org/10.1016/S0169-409X(00)00129-0
  31. Morris GM, Goodsell DS, Halliday RS, et al (1998) Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function. J Comput Chem, 9, 1639-62
  32. Nykanen M, Kuopio T (2010). Protein and gene expression of estrogen receptor alpha and nuclear morphology of two breast cancer cell lines after different fixation methods. Exp Mol Pathol, 88, 265-71. https://doi.org/10.1016/j.yexmp.2009.12.003
  33. Patch RJ, Searle LL, Kim AJ, et al (2011). Identification of diaryl ether-based ligands for estrogen-related receptor alpha as potential antidiabetic agents. J Med Chem, 54, 788-808. https://doi.org/10.1021/jm101063h
  34. Pavao M, Traish AM (2001). Estrogen receptor antibodies: specificity and utility in detection, localization and analyses of estrogen receptor alpha and beta. Steroids, 66, 1-16. https://doi.org/10.1016/S0039-128X(00)00143-4
  35. Reiter S (2013). Barriers to effective treatment of vaginal atrophy with local estrogen therapy. Int J Gen Med, 6, 153-8.
  36. Ross-Innes CS, Stark R, Holmes KA, et al (2010). Cooperative interaction between retinoic acid receptor-alpha and estrogen receptor in breast cancer. Genes Dev, 24, 171-82. https://doi.org/10.1101/gad.552910
  37. Stein RA, Chang CY, Kazmin DA, et al (2008). Estrogen-related receptor alpha is critical for the growth of estrogen receptornegative breast cancer. Cancer Res, 68, 8805-12. https://doi.org/10.1158/0008-5472.CAN-08-1594
  38. Stein RA, Gaillard S, McDonnell DP (2009). Estrogen-related receptor alpha induces the expression of vascular endothelial growth factor in breast cancer cells. J Steroid Biochem Mol Biol, 114, 106-12. https://doi.org/10.1016/j.jsbmb.2009.02.010
  39. Stoica GE, Franke TF, Moroni M, et al (2003). Effect of estradiol on estrogen receptor-alpha gene expression and activity can be modulated by the ErbB2/PI 3-K/Akt pathway. Oncogene, 22, 7998-8011. https://doi.org/10.1038/sj.onc.1206769
  40. Suzuki T, Miki Y, Moriya T, et al (2004). Estrogen-related receptor alpha in human breast carcinoma as a potent prognostic factor. Cancer Res, 64, 4670-6. https://doi.org/10.1158/0008-5472.CAN-04-0250
  41. Yu CP, Ho JY, Huang YT, et al (2013). Estrogen inhibits renal cell carcinoma cell progression through estrogen receptorbeta activation. PLoS One, 8, 56667. https://doi.org/10.1371/journal.pone.0056667
  42. Zhu K, Bernard LJ, Levine RS, Williams SM (1997). Estrogen receptor status of breast cancer: a marker of different stages of tumor or different entities of the disease? Med Hypotheses, 49, 69-75. https://doi.org/10.1016/S0306-9877(97)90255-3

Cited by

  1. In Silico Docking Studies of Selected Flavonoids - Natural Healing Agents against Breast Cancer vol.15, pp.19, 2014, https://doi.org/10.7314/APJCP.2014.15.19.8155
  2. Sequence to Structure Approach of Estrogen Receptor Alpha and Ligand Interactions vol.16, pp.6, 2015, https://doi.org/10.7314/APJCP.2015.16.6.2161
  3. Impact of point mutation P29S in RAC1 on tumorigenesis vol.37, pp.11, 2016, https://doi.org/10.1007/s13277-016-5329-y