- About this Journal
- Abstracting and Indexing
- Aims and Scope
- Annual Issues
- Article Processing Charges
- Articles in Press
- Author Guidelines
- Bibliographic Information
- Citations to this Journal
- Contact Information
- Editorial Board
- Editorial Workflow
- Free eTOC Alerts
- Publication Ethics
- Reviewers Acknowledgment
- Submit a Manuscript
- Subscription Information
- Table of Contents
BioMed Research International
Volume 2013 (2013), Article ID 620793, 8 pages
Novel Natural Structure Corrector of ApoE4 for Checking Alzheimer’s Disease: Benefits from High Throughput Screening and Molecular Dynamics Simulations
1Apaji Institute of Mathematics & Applied Computer Technology, Banasthali University, Tonk, Rajasthan 304022, India
2School of Biotechnology, Jawaharlal Nehru University, New Delhi 110067, India
3Department of Biotechnology, Delhi Technological University, New Delhi 110042, India
4Thematic Unit of Excellence on Computational Materials Science, S. N. Bose National Centre for Basic Sciences, Sector III, Block JD, Salt Lake, Kolkata 700098, India
Received 27 August 2013; Accepted 1 October 2013
Academic Editor: Zhongming Zhao
Copyright © 2013 Manisha Goyal 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.
- “Alzheimer's Association: Alzheimer's disease facts and figures,” Alzheimer's & Dementia, vol. 8, pp. 1–67, 2012.
- P. S. Mathuranath, A. George, N. Ranjith, et al., “Incidence of Alzheimer's disease in India: a 10 years follow-up study,” Neurology India, vol. 60, no. 6, pp. 625–630, 2012.
- M. J. Sadowski, J. Pankiewicz, H. Scholtzova et al., “Blocking the apolipoprotein E/amyloid-β interaction as a potential therapeutic approach for Alzheimer's disease,” Proceedings of the National Academy of Sciences of the United States of America, vol. 103, no. 49, pp. 18787–18792, 2006.
- D. L. Price, D. R. Borchlet, L. J. Martin, B. J. Crain, S. S. Sisodiya, and J. C. Troncoso, “Neuropathology of Alzheimer's disease and animal models,” in Neuropathology of Dementing Disorders, W. R. Markesbery, Ed., pp. 121–141, 1998.
- E. L. Conway, “A review of the randomized controlled trials of tacrine in the treatment of Alzheimer's disease: methodologic considerations,” Clinical Neuropharmacology, vol. 21, no. 1, pp. 8–17, 1998.
- S. I. Gracon, M. J. Knapp, W. G. Berghoff et al., “Safety of tacrine: clinical trials, treatment IND, and postmarketing experience,” Alzheimer Disease and Associated Disorders, vol. 12, no. 2, pp. 93–101, 1998.
- R. Mayeux and M. Sano, “Treatment of Alzheimer's disease,” The New England Journal of Medicine, vol. 341, no. 22, pp. 1670–1679, 1999.
- D. A. Ostrov, J. A. Hernández Prada, P. E. Corsino, K. A. Finton, N. Le, and T. C. Rowe, “Discovery of novel DNA gyrase inhibitors by high-throughput virtual screening,” Antimicrobial Agents and Chemotherapy, vol. 51, no. 10, pp. 3688–3698, 2007.
- A. Lleó, S. M. Greenberg, and J. H. Growdon, “Current pharmacotherapy for Alzheimer's disease,” Annual Review of Medicine, vol. 57, pp. 513–533, 2006.
- S. K. Sonkusare, C. L. Kaul, and P. Ramarao, “Dementia of Alzheimer's disease and other neurodegenerative disorders—memantine, a new hope,” Pharmacological Research, vol. 51, no. 1, pp. 1–17, 2005.
- K. H. Weisgraber, “Apolipoprotein E: structure-function relationships,” Advances in Protein Chemistry, vol. 45, pp. 249–302, 1994.
- W. J. Strittmatter, A. M. Saunders, D. Schmechel et al., “Apolipoprotein E: high-avidity binding to β-amyloid and increased frequency of type 4 allele in late-onset familial Alzheimer disease,” Proceedings of the National Academy of Sciences of the United States of America, vol. 90, no. 5, pp. 1977–1981, 1993.
- E. H. Corder, A. M. Saunders, W. J. Strittmatter et al., “Gene dose of apolipoprotein E type 4 allele and the risk of Alzheimer's disease in late onset families,” Science, vol. 261, no. 5123, pp. 921–923, 1993.
- R. W. Mahley, K. H. Weisgraber, and Y. Huang, “Apolipoprotein E4: a causative factor and therapeutic target in neuropathology, including Alzheimer's disease,” Proceedings of the National Academy of Sciences of the United States of America, vol. 103, no. 15, pp. 5644–5651, 2006.
- R. W. Mahley, K. H. Weisgraber, and Y. Huang, “Apolipoprotein E: structure determines function, from atherosclerosis to Alzheimer's disease to AIDS,” Journal of Lipid Research, supplement 50, pp. S183–S188, 2009.
- R. W. Mahley and Y. Huang, “Alzheimer disease: multiple causes, multiple effects of apolipoprotein E4, and multiple therapeutic approaches,” Annals of Neurology, vol. 65, no. 6, pp. 623–625, 2009.
- J. Kim, J. M. Basak, and D. M. Holtzman, “The role of apolipoprotein E in Alzheimer's disease,” Neuron, vol. 63, no. 3, pp. 287–303, 2009.
- L.-M. Dong, C. Wilson, M. R. Wardell et al., “Human apolipoprotein E. Role of arginine 61 in mediating the lipoprotein preferences of the E3 and E4 isoforms,” Journal of Biological Chemistry, vol. 269, no. 35, pp. 22358–22365, 1994.
- L.-M. Dong and K. H. Weisgraber, “Human apolipoprotein E4 domain interaction. Arginine 61 and glutamic acid 255 interact to direct the preference for very low density lipoproteins,” Journal of Biological Chemistry, vol. 271, no. 32, pp. 19053–19057, 1996.
- L. A. Farrer, L. A. Cupples, J. L. Haines et al., “Effects of age, sex, and ethnicity on the association between apolipoprotein E genotype and Alzheimer disease: a meta-analysis,” Journal of the American Medical Association, vol. 278, no. 16, pp. 1349–1356, 1997.
- R. W. Mahley, “Apolipoprotein E: cholesterol transport protein with expanding role in cell biology,” Science, vol. 240, no. 4852, pp. 622–630, 1988.
- R. W. Mahley and S. C. Rall Jr., “Apolipoprotein E: far more than a lipid transport protein,” Annual Review of Genomics and Human Genetics, vol. 1, no. 2000, pp. 507–537, 2000.
- K. H. Weisgraber and R. W. Mahley, “Human apolipoprotein E: the Alzheimer's disease connection,” FASEB Journal, vol. 10, no. 13, pp. 1485–1494, 1996.
- R. E. Tanzi and L. Bertram, “Twenty years of the Alzheimer's disease amyloid hypothesis: a genetic perspective,” Cell, vol. 120, no. 4, pp. 545–555, 2005.
- J. Hardy and D. J. Selkoe, “The amyloid hypothesis of Alzheimer's disease: progress and problems on the road to therapeutics,” Science, vol. 297, no. 5580, pp. 353–356, 2002.
- K. Blennow, M. J. de Leon, and H. Zetterberg, “Alzheimer's disease,” The Lancet, vol. 368, no. 9533, pp. 387–403, 2006.
- M. E. Risner, A. M. Saunders, J. F. B. Altman et al., “Efficacy of rosiglitazone in a genetically defined population with mild-to-moderate Alzheimer's disease,” Pharmacogenomics Journal, vol. 6, no. 4, pp. 246–254, 2006.
- Y. Huang and R. W. Mahley, “Commentary on “perspective on a pathogenesis and treatment of Alzheimer's disease.” Apolipoprotein E and the mitochondrial metabolic hypothesis,” Alzheimer's & Dementia, vol. 2, no. 2, pp. 71–73, 2006.
- A. D. Roses and A. M. Saunders, “Perspective on a pathogenesis and treatment of Alzheimer's disease,” Alzheimer's & Dementia, vol. 2, no. 2, pp. 59–70, 2006.
- A. M. Saunders, M. K. Trowers, R. A. Shimkets et al., “The role of apolipoprotein E in Alzheimer's disease: pharmacogenomic target selection,” Biochimica et Biophysica Acta, vol. 1502, no. 1, pp. 85–94, 2000.
- E. M. Reiman, R. J. Caselli, K. Chen, G. E. Alexander, D. Bandy, and J. Frost, “Declining brain activity in cognitively normal apolipoprotein E ε4 heterozygotes: a foundation for using positron emission tomography to efficiently test treatments to prevent alzheimer's disease,” Proceedings of the National Academy of Sciences of the United States of America, vol. 98, no. 6, pp. 3334–3339, 2001.
- E. M. Reiman, K. Chen, G. E. Alexander et al., “Functional brain abnormalities in young adults at genetic risk for late-onset Alzheimer's dementia,” Proceedings of the National Academy of Sciences of the United States of America, vol. 101, no. 1, pp. 284–289, 2004.
- A. M. Saunders, W. J. Strittmatter, D. Schmechel et al., “Association of apolipoprotein E allele ε4 with late-onset familial and sporadic Alzheimer's disease,” Neurology, vol. 43, no. 8, pp. 1467–1472, 1993.
- M. A. Pericak-Vance, L. H. Yamaoka, C. S. Haynes et al., et al., “Genetic linkage studies in Alzheimer's disease families,” Experimental Neurology, vol. 102, no. 3, pp. 271–279, 1988.
- S. Ye, Y. Huang, K. Müllendorff et al., “Apolipoprotein (apo) E4 enhances amyloid β peptide production in cultured neuronal cells: ApoE structure as a potential therapeutic target,” Proceedings of the National Academy of Sciences of the United States of America, vol. 102, no. 51, pp. 18700–18705, 2005.
- H.-K. Chen, Z. Liu, A. Meyer-Franke et al., “Small molecule structure correctors abolish detrimental effects of apolipoprotein E4 in cultured neurons,” Journal of Biological Chemistry, vol. 287, no. 8, pp. 5253–5266, 2012.
- “Protein Data Bank,” http://www.rcsb.org/pdb/home/home.do.
- Schrodinger, Maestro, version 9, LLC, New York, NY, USA, 2009.
- S. Sreeramulu, H. R. A. Jonker, T. Langer, C. Richter, C. R. D. Lancaster, and H. Schwalbe, “The human Cdc37·Hsp90 complex studied by heteronuclear NMR spectroscopy,” Journal of Biological Chemistry, vol. 284, no. 6, pp. 3885–3896, 2009.
- T. A. Halgren, R. B. Murphy, R. A. Friesner et al., “Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening,” Journal of Medicinal Chemistry, vol. 47, no. 7, pp. 1750–1759, 2004.
- R. A. Friesner, J. L. Banks, R. B. Murphy et al., “Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy,” Journal of Medicinal Chemistry, vol. 47, no. 7, pp. 1739–1749, 2004.
- C. Frieden and K. Garai, “Structural differences between apoE3 and apoE4 may be useful in developing therapeutic agents for Alzheimer's disease,” Proceedings of the National Academy of Sciences of the United States of America, vol. 109, no. 23, pp. 8913–8918, 2012.
- J. J. Irwin and B. K. Shoichet, “ZINC—a free database of commercially available compounds for virtual screening,” Journal of Chemical Information and Modeling, vol. 45, no. 1, pp. 177–182, 2005.
- Schrodinger, Ligprep, version 2.3, LLC, New York, NY, USA, 2009.
- Schrodinger, Glide, version 5.5, LLC, New York, NY, USA, 2009.
- M. Sándor, R. Kiss, and G. M. Keseru, “Virtual fragment docking by glide: a validation study on 190 protein-fragment complexes,” Journal of Chemical Information and Modeling, vol. 50, no. 6, pp. 1165–1172, 2010.
- D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark, and H. J. C. Berendsen, “GROMACS: fast, flexible, and free,” Journal of Computational Chemistry, vol. 26, no. 16, pp. 1701–1718, 2005.
- D. A. Case, T. A. Darden, T. E. Cheatham, et al., AMBER 12, University of California, San Francisco, Calif, USA, 2012.