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Evidence-Based Complementary and Alternative Medicine
Volume 2014 (2014), Article ID 450592, 20 pages
http://dx.doi.org/10.1155/2014/450592
Research Article

In Silico Insight into Potent of Anthocyanin Regulation of FKBP52 to Prevent Alzheimer’s Disease

1Department of Biomedical Informatics, Asia University, Taichung 41354, Taiwan
2School of Chinese Medicine, College of Chinese Medicine, China Medical University, Taichung 40402, Taiwan
3Department of Biotechnology, Asia University, Taichung 41354, Taiwan
4Department of Biological Science and Technology, China Medical University, Taichung 40402, Taiwan
5School of Medicine, College of Medicine, China Medical University, Taichung 40402, Taiwan

Received 21 October 2013; Revised 3 January 2014; Accepted 3 January 2014; Published 12 May 2014

Academic Editor: Fuu-Jen Tsai

Copyright © 2014 Tzu-Chieh Hung et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. Alzheimer's Disease International, World Alzheimer Report 2009, 2009, http://www.alz.co.uk/research/world-report.
  2. A. Wimo and M. Prince, World Alzheimer Report 2010: The Global Economic Impact of Dementia, 2010, http://www.alz.co.uk/research/world-report-2012.
  3. N. A. Clarke and P. T. Francis, “Cholinergic and glutamatergic drugs in Alzheimer's disease therapy,” Expert Review of Neurotherapeutics, vol. 5, no. 5, pp. 671–682, 2005. View at Publisher · View at Google Scholar · View at Scopus
  4. T. Voisin and B. Vellas, “Diagnosis and treatment of patients with severe Alzheimer's disease,” Drugs and Aging, vol. 26, no. 2, pp. 135–144, 2009. View at Publisher · View at Google Scholar · View at Scopus
  5. C. Babiloni, C. Del Percio, R. Bordet et al., “Effects of acetylcholinesterase inhibitors and memantine on resting-state electroencephalographic rhythms in Alzheimer's disease patients,” Clinical Neurophysiology: Official Journal of the International Federation of Clinical Neurophysiology, vol. 124, no. 5, pp. 837–850, 2013. View at Publisher · View at Google Scholar
  6. P. T. Francis, M. J. Ramírez, and M. K. Lai, “Neurochemical basis for symptomatic treatment of Alzheimer's disease,” Neuropharmacology, vol. 59, no. 4-5, pp. 221–229, 2010. View at Publisher · View at Google Scholar · View at Scopus
  7. F. Mangialasche, A. Solomon, B. Winblad, P. Mecocci, and M. Kivipelto, “Alzheimer's disease: clinical trials and drug development,” The Lancet Neurology, vol. 9, no. 7, pp. 702–716, 2010. View at Publisher · View at Google Scholar · View at Scopus
  8. C. Duyckaerts, B. Delatour, and M. Potier, “Classification and basic pathology of Alzheimer disease,” Acta Neuropathologica, vol. 118, no. 1, pp. 5–36, 2009. View at Publisher · View at Google Scholar · View at Scopus
  9. D.-Y. Lin, F.-J. Tsai, C.-H. Tsai, and C.-Y. Huang, “Mechanisms governing the protective effect of 17β-estradiol and estrogen receptors against cardiomyocyte injury,” Biomedicine, vol. 1, no. 1, pp. 21–28, 2011. View at Publisher · View at Google Scholar · View at Scopus
  10. C.-C. Lee, C.-H. Tsai, L. Wan et al., “Increased incidence of Parkinsonism among Chinese with β-glucosidase mutation in central Taiwan,” BioMedicine, vol. 3, no. 2, pp. 92–94, 2013. View at Google Scholar
  11. C.-H. Wang, W.-D. Lin, D.-T. Bau et al., “Appearance of acanthosis nigricans may precede obesity: an involvement of the insulin/IGF receptor signaling pathway,” BioMedicine, vol. 3, no. 2, pp. 82–87, 2013. View at Google Scholar
  12. Y.-M. Chang, B. K. Velmurugan, W.-W. Kuo et al., “Inhibitory effect of alpinate Oxyphyllae fructus extracts on Ang II-induced cardiac pathological remodeling-related pathways in H9c2 cardiomyoblast cells,” BioMedicine, vol. 3, no. 4, pp. 148–152, 2013. View at Google Scholar
  13. I. C. Chou, W.-D. Lin, C.-H. Wang et al., “Association analysis between Tourette's syndrome and two dopamine genes (DAT1, DBH) in Taiwanese children,” BioMedicine, vol. 3, no. 2, pp. 88–91, 2013. View at Google Scholar
  14. W.-Y. Lin, H.-P. Liu, J.-S. Chang et al., “Genetic variations within the PSORS1 region affect Kawasaki disease development and coronary artery aneurysm formation,” BioMedicine, vol. 3, no. 2, pp. 73–81, 2013. View at Google Scholar
  15. B. Chambraud, E. Sardin, J. Giustiniani et al., “A role for FKBP52 in Tau protein function,” Proceedings of the National Academy of Sciences of the United States of America, vol. 107, no. 6, pp. 2658–2663, 2010. View at Publisher · View at Google Scholar · View at Scopus
  16. J. Giustiniani, M. Sineus, E. Sardin et al., “Decrease of the immunophilin FKBP52 accumulation in human brains of alzheimer's disease and FTDP-17,” Journal of Alzheimer's Disease, vol. 29, no. 2, pp. 471–483, 2012. View at Publisher · View at Google Scholar · View at Scopus
  17. J. Koren III, U. K. Jinwal, Z. Davey, J. Kiray, K. Arulselvam, and C. A. Dickey, “Bending tau into shape: the emerging role of peptidyl-prolyl isomerases in tauopathies,” Molecular Neurobiology, vol. 44, no. 1, pp. 65–70, 2011. View at Publisher · View at Google Scholar · View at Scopus
  18. W. Cao and M. Konsolaki, “FKBP immunophilins and Alzheimer's disease: a chaperoned affair,” Journal of Biosciences, vol. 36, no. 3, pp. 493–498, 2011. View at Publisher · View at Google Scholar · View at Scopus
  19. C. L. Storer, C. A. Dickey, M. D. Galigniana, T. Rein, and M. B. Cox, “FKBP51 and FKBP52 in signaling and disease,” Trends in Endocrinology and Metabolism, vol. 22, no. 12, pp. 481–490, 2011. View at Publisher · View at Google Scholar · View at Scopus
  20. B. Chambraud, H. Belabes, V. Fontaine-Lenoir, A. Fellous, and E. E. Baulieu, “The immunophilin FKBP52 specifically binds to tubulin and prevents microtubule formation,” FASEB Journal, vol. 21, no. 11, pp. 2787–2797, 2007. View at Publisher · View at Google Scholar · View at Scopus
  21. T. H. Davies and E. R. Sánchez, “FKBP52,” International Journal of Biochemistry and Cell Biology, vol. 37, no. 1, pp. 42–47, 2005. View at Publisher · View at Google Scholar · View at Scopus
  22. K. P. Lu, Y. Liou, and X. Z. Zhou, “Pinning down proline-directed phosphorylation signaling,” Trends in Cell Biology, vol. 12, no. 4, pp. 164–172, 2002. View at Publisher · View at Google Scholar · View at Scopus
  23. K. P. Lu and X. Z. Zhou, “The prolyl isomerase PIN1: a pivotal new twist in phosphorylation signalling and disease,” Nature Reviews Molecular Cell Biology, vol. 8, no. 11, pp. 904–916, 2007. View at Publisher · View at Google Scholar · View at Scopus
  24. B. Ruan, K. Pong, F. Jow et al., “Binding of rapamycin analogs to calcium channels and FKBP52 contributes to their neuroprotective activities,” Proceedings of the National Academy of Sciences of the United States of America, vol. 105, no. 1, pp. 33–38, 2008. View at Publisher · View at Google Scholar · View at Scopus
  25. J. Liu, J. D. Farmer Jr., W. S. Lane, J. Friedman, I. Weissman, and S. L. Schreiber, “Calcineurin is a common target of cyclophilin-cyclosporin A and FKBP-FK506 complexes,” Cell, vol. 66, no. 4, pp. 807–815, 1991. View at Publisher · View at Google Scholar · View at Scopus
  26. C. R. Kissinǵer, H. E. Parge, D. R. Knighton et al., “Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex,” Nature, vol. 378, no. 6557, pp. 641–644, 1995. View at Publisher · View at Google Scholar · View at Scopus
  27. L. C. Reese, F. Laezza, R. Woltjer, and G. Taglialatela, “Dysregulated phosphorylation of Ca2+/calmodulin-dependent protein kinase II-α in the hippocampus of subjects with mild cognitive impairment and Alzheimer's disease,” Journal of Neurochemistry, vol. 119, no. 4, pp. 791–804, 2011. View at Publisher · View at Google Scholar · View at Scopus
  28. T. H. Davies, Y. Ning, and E. R. Sánchez, “Differential control of glucocorticoid receptor hormone-binding function by tetratricopeptide repeat (TPR) proteins and the immunosuppressive ligand FK506,” Biochemistry, vol. 44, no. 6, pp. 2030–2038, 2005. View at Publisher · View at Google Scholar · View at Scopus
  29. M. D. Galigniana, A. G. Erlejman, M. Monte, C. Gomez-Sanchez, and G. Piwien-Pilipuk, “The hsp90-FKBP52 complex links the mineralocorticoid receptor to motor proteins and persists bound to the receptor in early nuclear events,” Molecular and Cellular Biology, vol. 30, no. 5, pp. 1285–1298, 2010. View at Publisher · View at Google Scholar · View at Scopus
  30. D. L. Cioffi, T. R. Hubler, and J. G. Scammell, “Organization and function of the FKBP52 and FKBP51 genes,” Current Opinion in Pharmacology, vol. 11, no. 4, pp. 308–313, 2011. View at Publisher · View at Google Scholar · View at Scopus
  31. H. R. Quintá and M. D. Galigniana, “The neuroregenerative mechanism mediated by the Hsp90-binding immunophilin FKBP52 resembles the early steps of neuronal differentiation,” British Journal of Pharmacology, vol. 166, no. 2, pp. 637–649, 2012. View at Publisher · View at Google Scholar · View at Scopus
  32. H. R. Quintá, D. Maschi, C. Gomez-Sanchez, G. Piwien-Pilipuk, and M. D. Galigniana, “Subcellular rearrangement of hsp90-binding immunophilins accompanies neuronal differentiation and neurite outgrowth,” Journal of Neurochemistry, vol. 115, no. 3, pp. 716–734, 2010. View at Publisher · View at Google Scholar · View at Scopus
  33. A. Castañeda-Ovando, M. D. L. Pacheco-Hernández, M. E. Páez-Hernández, J. A. Rodríguez, and C. A. Galán-Vidal, “Chemical studies of anthocyanins: a review,” Food Chemistry, vol. 113, no. 4, pp. 859–871, 2009. View at Publisher · View at Google Scholar · View at Scopus
  34. F. C. Stintzing and R. Carle, “Functional properties of anthocyanins and betalains in plants, food, and in human nutrition,” Trends in Food Science and Technology, vol. 15, no. 1, pp. 19–38, 2004. View at Publisher · View at Google Scholar · View at Scopus
  35. J. M. Kong, L. S. Chia, N. K. Goh, T. F. Chia, and R. Brouillard, “Analysis and biological activities of anthocyanins,” Phytochemistry, vol. 64, no. 5, pp. 923–933, 2003. View at Publisher · View at Google Scholar · View at Scopus
  36. S. S. Percival, “Grape consumption supports immunity in animals and humans,” Journal of Nutrition, vol. 139, supplement 9, pp. 1801S–1805S, 2009. View at Publisher · View at Google Scholar · View at Scopus
  37. C. Zhao, M. M. Giusti, M. Malik, M. P. Moyer, and B. A. Magnuson, “Effects of commercial anthocyanin-rich on colonic cancer and nontumorigenic colonic cell growth,” Journal of Agricultural and Food Chemistry, vol. 52, no. 20, pp. 6122–6128, 2004. View at Publisher · View at Google Scholar · View at Scopus
  38. J. W. Hyun and H. S. Chung, “Cyanidin and malvidin from Oryza sativa cv. heugjinjubyeo mediate cytotoxicity against human monocytic leukemia cells by arrest of G 2/M phase and induction of apoptosis,” Journal of Agricultural and Food Chemistry, vol. 52, no. 8, pp. 2213–2217, 2004. View at Publisher · View at Google Scholar · View at Scopus
  39. H. Jin, Q. Leng, and C. Li, “Dietary flavonoid for preventing colorectal neoplasms,” Cochrane Database of Systematic Reviews, vol. 8, Article ID CD009350, 2012. View at Google Scholar
  40. H. P. Huang, Y. C. Chang, C. H. Wu, C. N. Hung, and C. Wang, “Anthocyanin-rich Mulberry extract inhibit the gastric cancer cell growth in vitro and xenograft mice by inducing signals of p38/p53 and c-jun,” Food Chemistry, vol. 129, no. 4, pp. 1703–1709, 2011. View at Publisher · View at Google Scholar · View at Scopus
  41. T. Tsuda, F. Horio, and T. Osawa, “Cyanidin 3-O-β-D-glucoside suppresses nitric oxide production during a zymosan treatment in rats,” Journal of Nutritional Science and Vitaminology, vol. 48, no. 4, pp. 305–310, 2002. View at Google Scholar · View at Scopus
  42. X. Xia, W. Ling, J. Ma et al., “An anthocyanin-rich extract from black rice enhances atherosclerotic plaque stabilization in apolipoprotein E-deficient mice,” Journal of Nutrition, vol. 136, no. 8, pp. 2220–2225, 2006. View at Google Scholar · View at Scopus
  43. A. Jennings, A. A. Welch, S. J. Fairweather-Tait et al., “Higher anthocyanin intake is associated with lower arterial stiffness and central blood pressure in women,” The American Journal of Clinical Nutrition, vol. 96, no. 4, pp. 781–788, 2012. View at Google Scholar
  44. S. S. Hassellund, A. Flaa, S. E. Kjeldsen et al., “Effects of anthocyanins on cardiovascular risk factors and inflammation in pre-hypertensive men: a double-blind randomized placebo-controlled crossover study,” Journal of Human Hypertension, vol. 27, no. 2, pp. 100–106, 2013. View at Publisher · View at Google Scholar · View at Scopus
  45. D. Ghosh and T. Konishi, “Anthocyanins and anthocyanin-rich extracts: role in diabetes and eye function,” Asia Pacific Journal of Clinical Nutrition, vol. 16, no. 2, pp. 200–208, 2007. View at Google Scholar · View at Scopus
  46. M. K. Kang, J. Li, J. L. Kim et al., “Purple corn anthocyanins inhibit diabetes-associated glomerular monocyte activation and macrophage infiltration,” American Journal of Physiology Renal Physiology, vol. 303, no. 7, pp. F1060–F1069, 2012. View at Google Scholar
  47. S. H. Nam, S. P. Choi, M. Y. Kang, H. J. Koh, N. Kozukue, and M. Friedman, “Antioxidative activities of bran extracts from twenty one pigmented rice cultivars,” Food Chemistry, vol. 94, no. 4, pp. 613–620, 2006. View at Publisher · View at Google Scholar · View at Scopus
  48. M. Philpott, K. S. Gould, C. Lim, and L. R. Ferguson, “In situ and in vitro antioxidant activity of sweetpotato anthocyanins,” Journal of Agricultural and Food Chemistry, vol. 52, no. 6, pp. 1511–1513, 2004. View at Publisher · View at Google Scholar · View at Scopus
  49. Y. Wang, X. Chen, Y. Zhang, and X. Chen, “Antioxidant activities and major anthocyanins of myrobalan plum (Prunus cerasifera Ehrh.),” Journal of Food Science, vol. 77, no. 4, pp. C388–C393, 2012. View at Publisher · View at Google Scholar · View at Scopus
  50. S. J. Chen, J. G. Chung, Y. C. Chung, and S. T. Chou, “In vitro antioxidant and antiproliferative activity of the stem extracts from graptopetalum paraguayense,” American Journal of Chinese Medicine, vol. 36, no. 2, pp. 369–383, 2008. View at Publisher · View at Google Scholar · View at Scopus
  51. Y. L. Ho, S. S. Huang, J. S. Deng, Y. Lin, Y. Chang, and G. Huang, “In vitro antioxidant properties and total phenolic contents of wetland medicinal plants in Taiwan,” Botanical Studies, vol. 53, no. 1, pp. 55–66, 2012. View at Google Scholar · View at Scopus
  52. M. Miyazawa, T. Oshima, K. Koshio, Y. Itsuzaki, and J. Anzai, “Tyrosinase inhibitor from black rice bran,” Journal of Agricultural and Food Chemistry, vol. 51, no. 24, pp. 6953–6956, 2003. View at Publisher · View at Google Scholar · View at Scopus
  53. J. Yamakoshi, F. Otsuka, A. Sano et al., “Lightening effect on ultraviolet-induced pigmentation of Guinea pig skin by oral administration of a proanthocyanidin-rich extract from grape seeds,” Pigment Cell Research, vol. 16, no. 6, pp. 629–638, 2003. View at Publisher · View at Google Scholar · View at Scopus
  54. C. Gómez-Cordovés, B. Bartolomé, W. Vieira, and V. M. Virador, “Effects of wine phenolics and sorghum tannins on tyrosinase activity and growth of melanoma cells,” Journal of Agricultural and Food Chemistry, vol. 49, no. 3, pp. 1620–1624, 2001. View at Publisher · View at Google Scholar · View at Scopus
  55. T. Hanamura, E. Uchida, and H. Aoki, “Skin-lightening effect of a polyphenol extract from acerola (Malpighia emarginata DC.) fruit on UV-induced pigmentation,” Bioscience, Biotechnology and Biochemistry, vol. 72, no. 12, pp. 3211–3218, 2008. View at Publisher · View at Google Scholar · View at Scopus
  56. M. Dell'Agli, G. V. Galli, U. Vrhovsek, F. Mattivi, and E. Bosisio, “In vitro inhibition of human cGMP-specific phosphodiesterase-5 by polyphenols from red grapes,” Journal of Agricultural and Food Chemistry, vol. 53, no. 6, pp. 1960–1965, 2005. View at Publisher · View at Google Scholar · View at Scopus
  57. M. Hattori, E. Sugino, K. Minoura et al., “Different inhibitory response of cyanidin and methylene blue for filament formation of tau microtubule-binding domain,” Biochemical and Biophysical Research Communications, vol. 374, no. 1, pp. 158–163, 2008. View at Publisher · View at Google Scholar · View at Scopus
  58. P. H. Shih, Y. C. Chan, J. W. Liao, M. F. Wang, and G. C. Yen, “Antioxidant and cognitive promotion effects of anthocyanin-rich mulberry (Morus atropurpurea L.) on senescence-accelerated mice and prevention of Alzheimer's disease,” Journal of Nutritional Biochemistry, vol. 21, no. 7, pp. 598–605, 2010. View at Publisher · View at Google Scholar · View at Scopus
  59. Y. Zuo, C. Peng, Y. Liang et al., “Black rice extract extends the lifespan of fruit flies,” Food & Function, vol. 3, no. 12, pp. 1271–1279, 2012. View at Publisher · View at Google Scholar
  60. P. H. Shih, C. H. Wu, C. T. Yeh, and G. C. Yen, “Protective effects of anthocyanins against amyloid β-peptide-induced damage in neuro-2A Cells,” Journal of Agricultural and Food Chemistry, vol. 59, no. 5, pp. 1683–1689, 2011. View at Publisher · View at Google Scholar · View at Scopus
  61. H. J. Huang, H. W. Yu, C. Y. Chen et al., “Current developments of computer-aided drug design,” Journal of the Taiwan Institute of Chemical Engineers, vol. 41, no. 6, pp. 623–635, 2010. View at Publisher · View at Google Scholar · View at Scopus
  62. C. Y. C. Chen, “A novel integrated framework and improved methodology of computer-aided drug design,” Current Topics in Medicinal Chemistry, vol. 13, no. 9, pp. 965–988, 2013. View at Google Scholar
  63. C. Y. Chen, “A novel integrated framework and improved methodology of computer-aided drug design,” Current Topics in Medicinal Chemistry, vol. 13, no. 9, pp. 965–988, 2013. View at Google Scholar
  64. Y. Yoshiyama, M. Higuchi, B. Zhang et al., “Synapse loss and microglial activation precede tangles in a P301S tauopathy mouse model,” Neuron, vol. 53, no. 3, pp. 337–351, 2007. View at Publisher · View at Google Scholar · View at Scopus
  65. K. T. Dineley, R. Kayed, V. Neugebauer et al., “Amyloid-β oligomers impair fear conditioned memory in a calcineurin-dependent fashion in mice,” Journal of Neuroscience Research, vol. 88, no. 13, pp. 2923–2932, 2010. View at Publisher · View at Google Scholar · View at Scopus
  66. T. L. Spires-Jones, K. Kay, R. Matsouka, A. Rozkalne, R. A. Betensky, and B. T. Hyman, “Calcineurin inhibition with systemic FK506 treatment increases dendritic branching and dendritic spine density in healthy adult mouse brain,” Neuroscience Letters, vol. 487, no. 3, pp. 260–263, 2011. View at Publisher · View at Google Scholar · View at Scopus
  67. A. Rozkalne, B. T. Hyman, and T. L. Spires-Jones, “Calcineurin inhibition with FK506 ameliorates dendritic spine density deficits in plaque-bearing Alzheimer model mice,” Neurobiology of Disease, vol. 41, no. 3, pp. 650–654, 2011. View at Publisher · View at Google Scholar · View at Scopus
  68. J. Q. Trojanowski, K. Duff, H. Fillit et al., “New directions for frontotemporal dementia drug discovery,” Alzheimer's and Dementia, vol. 4, no. 2, pp. 89–93, 2008. View at Publisher · View at Google Scholar · View at Scopus
  69. T. E. Starzl, J. Fung, R. Venkataramman, S. Todo, A. J. Demetris, and A. Jain, “FK 506 for liver, kidney, and pancreas transplantation,” The Lancet, vol. 2, no. 8670, pp. 1000–1004, 1989. View at Google Scholar · View at Scopus
  70. R. Shapiro, J. J. Fung, A. B. Jain, P. Parks, S. Todo, and T. E. Starzl, “The side effects of FK 506 in humans,” Transplantation Proceedings, vol. 22, no. 1, pp. 35–36, 1990. View at Google Scholar · View at Scopus
  71. N. Mohebbi, M. Mihailova, and C. A. Wagner, “The calcineurin inhibitor FK506 (tacrolimus) is associated with transient metabolic acidosis and altered expression of renal acid-base transport proteins,” American Journal of Physiology-Renal Physiology, vol. 297, no. 2, pp. F499–F509, 2009. View at Publisher · View at Google Scholar · View at Scopus
  72. E. M. Haddad, V. C. McAlister, E. Renouf, R. Malthaner, M. S. Kjaer, and L. L. Gluud, “Cyclosporin versus tacrolimus for liver transplanted patients,” Cochrane Database of Systematic Reviews, no. 4, Article ID CD005161, 2006. View at Google Scholar · View at Scopus
  73. T. Ochiai, M. Nagata, K. Nakajima et al., “Studies of the effects of FK506 on renal allografting in the beagle dog,” Transplantation, vol. 44, no. 6, pp. 729–733, 1987. View at Google Scholar · View at Scopus
  74. W.-L. Liao and F.-J. Tsai, “Personalized medicine: a paradigm shift in healthcare,” BioMedicine, vol. 3, no. 2, pp. 66–72, 2013. View at Google Scholar
  75. F.-J. Tsai, “Biomedicine brings the future nearer,” Biomedicine, 2011. View at Publisher · View at Google Scholar · View at Scopus
  76. F.-J. Tsai, “Rare diseases: a mysterious puzzle,” BioMedicine, vol. 3, no. 2, p. 65, 2013. View at Publisher · View at Google Scholar
  77. C.-H. Wang, W.-D. Lin, and F.-J. Tsai, “Craniofacial dysmorphism, what is your diagnosis?” BioMedicine, vol. 2, no. 2, pp. 49–50, 2012. View at Publisher · View at Google Scholar · View at Scopus
  78. C. Y. Chen, “TCM Database@Taiwan: the world's largest traditional Chinese medicine database for drug screening In Silico,” PLoS ONE, vol. 6, no. 1, Article ID e15939, 2011. View at Publisher · View at Google Scholar · View at Scopus
  79. K. C. Chen and C. Y. C. Chen, “Stroke prevention by traditional Chinese medicine? A genetic algorithm, support vector machine and molecular dynamics approach,” Soft Matter, vol. 7, no. 8, pp. 4001–4008, 2011. View at Publisher · View at Google Scholar · View at Scopus
  80. K. C. Chen, M. F. Sun, S. C. Yang et al., “Investigation into potent inflammation inhibitors from traditional Chinese medicine,” Chemical Biology and Drug Design, vol. 78, no. 4, pp. 679–688, 2011. View at Publisher · View at Google Scholar · View at Scopus
  81. W. I. Tou, S. S. Chang, C. C. Lee, and C. Y. Chen, “Drug design for neuropathic pain regulation from traditional Chinese medicine,” Scientific Reports, vol. 3, p. 844, 2013. View at Google Scholar
  82. S. C. Yang, S. S. Chang, H. Chen, and C. Y. Chen, “Identification of potent EGFR inhibitors from TCM Database@Taiwan,” PLoS Computational Biology, vol. 7, no. 10, Article ID e1002189, 2011. View at Publisher · View at Google Scholar · View at Scopus
  83. S. C. Yang, S. S. Chang, and C. Y. Chen, “Identifying HER2 inhibitors from natural products database,” PLoS ONE, vol. 6, no. 12, Article ID e28793, 2011. View at Publisher · View at Google Scholar · View at Scopus
  84. S. S. Chang, H. J. Huang, and C. Y. C. Chen, “Two birds with one stone? Possible dual-targeting H1N1 inhibitors from traditional Chinese medicine,” PLoS Computational Biology, vol. 7, no. 12, Article ID e1002315, 2011. View at Publisher · View at Google Scholar · View at Scopus
  85. T. T. Chang, M. F. Sun, H. Y. Chen et al., “Screening from the world's largest TCM database against H1N1 virus,” Journal of Biomolecular Structure and Dynamics, vol. 28, no. 5, pp. 773–786, 2011. View at Google Scholar · View at Scopus
  86. T. Y. Tsai, K. W. Chang, and C. Y. Chen, “IScreen: World's first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan,” Journal of Computer-Aided Molecular Design, vol. 25, no. 6, pp. 525–531, 2011. View at Publisher · View at Google Scholar · View at Scopus
  87. B. Wu, P. Li, Y. Liu et al., “3D structure of human FK506-binding protein 52: implication for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex,” Proceedings of the National Academy of Sciences of the United States of America, vol. 101, no. 22, pp. 8348–8353, 2004. View at Publisher · View at Google Scholar · View at Scopus
  88. Y. Wang, E. Bolton, S. Dracheva et al., “An overview of the PubChem BioAssay resource,” Nucleic Acids Research, vol. 38, no. 1, Article ID gkp965, pp. D255–D266, 2009. View at Publisher · View at Google Scholar · View at Scopus
  89. W. I. Tou and C. Y. Chen, “May disordered protein cause serious drug side effect?” Drug Discovery Today, vol. 19, no. 4, pp. 367–372, 2014. View at Publisher · View at Google Scholar
  90. C. Y. C. Chen and W. L. Tou, “How to design a drug for the disordered proteins,” Drug Discovery Today, vol. 18, no. 19-20, pp. 910–915, 2013. View at Google Scholar
  91. C. M. Venkatachalam, X. Jiang, T. Oldfield, and M. Waldman, “LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites,” Journal of Molecular Graphics and Modelling, vol. 21, no. 4, pp. 289–307, 2003. View at Publisher · View at Google Scholar · View at Scopus
  92. R. A. Laskowski and M. B. Swindells, “LigPlot+: multiple ligand-protein interaction diagrams for drug discovery,” Journal of Chemical Information and Modeling, vol. 51, no. 10, pp. 2778–2786, 2011. View at Publisher · View at Google Scholar · View at Scopus
  93. B. R. Brooks, C. L. Brooks III, A. D. Mackerell Jr. et al., “CHARMM: the biomolecular simulation program,” Journal of Computational Chemistry, vol. 30, no. 10, pp. 1545–1614, 2009. View at Publisher · View at Google Scholar · View at Scopus
  94. R. Fletcher, Optimization, Academic Press, New York, NY, USA, 1969.
  95. R. Fletcher and C. M. Reeves, “Function minimization by conjugate gradients,” Computer Journal, vol. 7, no. 2, pp. 149–154, 1964. View at Google Scholar
  96. J. H. Peters and B. L. de Groot, “Ubiquitin dynamics in complexes reveal molecular recognition mechanisms beyond induced fit and conformational selection,” PLOS Computational Biology, vol. 8, no. 10, Article ID e1002704, 2012. View at Google Scholar
  97. P. Li, Y. Ding, B. Wu, C. Shu, B. Shen, and Z. Rao, “Structure of the N-terminal domain of human FKBP52,” Acta Crystallographica D: Biological Crystallography, vol. 59, no. 1, pp. 16–22, 2003. View at Publisher · View at Google Scholar · View at Scopus
  98. D. L. Riggs, M. B. Cox, H. L. Tardif, M. Hessling, J. Buchner, and D. F. Smith, “Noncatalytic role of the FKBP52 peptidyl-prolyl isomerase domain in the regulation of steroid hormone signaling,” Molecular and Cellular Biology, vol. 27, no. 24, pp. 8658–8669, 2007. View at Publisher · View at Google Scholar · View at Scopus
  99. C. R. Sinars, J. Cheung-Flynn, R. A. Rimerman, J. G. Scammell, D. F. Smith, and J. Clardy, “Structure of the large FK506-binding protein FKBP51, an Hsp90-binding protein and a component of steroid receptor complexes,” Proceedings of the National Academy of Sciences of the United States of America, vol. 100, no. 3, pp. 868–873, 2003. View at Publisher · View at Google Scholar · View at Scopus