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Ramsay RR, Popovic-Nikolic MR, Nikolic K, et al. A perspective on multi-target drug discovery and design for complex diseases. Clin Transl Med. 2018;7(1):3doi: 10.1186/s40169-017-0181-2.
Ramsay, R. R., Popovic-Nikolic, M. R., Nikolic, K., Uliassi, E., & Bolognesi, M. L. (2018). A perspective on multi-target drug discovery and design for complex diseases. Clinical and translational medicine, 7(1), 3. https://doi.org/10.1186/s40169-017-0181-2
Ramsay, Rona R, et al. "A perspective on multi-target drug discovery and design for complex diseases." Clinical and translational medicine vol. 7,1 (2018): 3. doi: https://doi.org/10.1186/s40169-017-0181-2
Ramsay RR, Popovic-Nikolic MR, Nikolic K, Uliassi E, Bolognesi ML. A perspective on multi-target drug discovery and design for complex diseases. Clin Transl Med. 2018 Jan 17;7(1):3. doi: 10.1186/s40169-017-0181-2. PMID: 29340951; PMCID: PMC5770353.
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Clin Transl Med. 2018 Jan 17;7(1):3. doi: 10.1186/s40169-017-0181-2.

A perspective on multi-target drug discovery and design for complex diseases.

Clinical and translational medicine

Rona R Ramsay, Marija R Popovic-Nikolic, Katarina Nikolic, Elisa Uliassi, Maria Laura Bolognesi

Affiliations

  1. Biomedical Sciences Research Complex, University of St Andrews, North Haugh, St Andrews, KY16 9ST, UK. [email protected].
  2. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Belgrade, Vojvode Stepe 450, 11000, Belgrade, Serbia.
  3. Department of Pharmacy and Biotechnology, Alma Mater Studiorum-Bologna University, Via Belmeloro 6, 40126, Bologna, Italy.

PMID: 29340951 PMCID: PMC5770353 DOI: 10.1186/s40169-017-0181-2

Abstract

Diseases of infection, of neurodegeneration (such as Alzheimer's and Parkinson's diseases), and of malignancy (cancers) have complex and varied causative factors. Modern drug discovery has the power to identify potential modulators for multiple targets from millions of compounds. Computational approaches allow the determination of the association of each compound with its target before chemical synthesis and biological testing is done. These approaches depend on the prior identification of clinically and biologically validated targets. This Perspective will focus on the molecular and computational approaches that underpin drug design by medicinal chemists to promote understanding and collaboration with clinical scientists.

Keywords: Biological assays; Cancer; Cheminformatics; Multi-target drugs; Neurodegeneration; Virtual screening

References

  1. Eur J Med Chem. 2014 Mar 21;75:82-95 - PubMed
  2. J Med Chem. 1998 Feb 12;41(4):579-90 - PubMed
  3. Molecules. 2017 Jul 15;22(7): - PubMed
  4. Hum Mol Genet. 2017 Apr 15;26(8):1483-1496 - PubMed
  5. Cancer Lett. 2013 Oct 28;340(1):97-103 - PubMed
  6. ChemMedChem. 2016 Jun 20;11(12):1227-41 - PubMed
  7. J Med Chem. 2005 Oct 20;48(21):6523-43 - PubMed
  8. J Med Chem. 2005 Feb 24;48(4):1107-31 - PubMed
  9. Drug Discov Today. 2017 Nov;22(11):1593-1597 - PubMed
  10. J Med Chem. 2014 Dec 26;57(24):10455-63 - PubMed
  11. Future Med Chem. 2011 Apr;3(6):735-50 - PubMed
  12. Curr Pharm Des. 2009;15(6):587-600 - PubMed
  13. J Cell Biol. 2011 Feb 7;192(3):463-80 - PubMed
  14. Nat Chem Biol. 2011 Sep 18;7(11):769-78 - PubMed
  15. Front Neurosci. 2016 Apr 25;10:177 - PubMed
  16. J Comput Chem. 2003 Oct;24(13):1549-62 - PubMed
  17. Bioorg Med Chem. 2016 Jul 15;24(14):3174-83 - PubMed
  18. Drug Discov Today. 2015 Oct;20(10):1182-7 - PubMed
  19. Drug Discov Today. 2016 Aug;21(8):1291-302 - PubMed
  20. J Mol Biol. 1995 Jan 6;245(1):43-53 - PubMed
  21. Curr Med Chem. 2013;20(13):1639-45 - PubMed
  22. ACS Chem Neurosci. 2017 May 17;8(5):1026-1035 - PubMed
  23. J Med Chem. 2012 Nov 8;55(21):9009-24 - PubMed
  24. J Pharmacol Exp Ther. 2010 Apr;333(1):328-40 - PubMed
  25. Mol Neurobiol. 2017 Aug;54(6):4537-4550 - PubMed
  26. J Med Chem. 2015 Mar 26;58(6):2584-608 - PubMed
  27. J Comput Chem. 2009 Dec;30(16):2785-91 - PubMed
  28. ChemMedChem. 2015 Apr;10(4):621-8 - PubMed
  29. Med Res Rev. 2013 Jan;33(1):139-89 - PubMed
  30. Prog Neurobiol. 2016 Jul;142:68-103 - PubMed
  31. Methods Biochem Anal. 2005;46:1-265 - PubMed
  32. Drug Des Devel Ther. 2014 Oct 13;8:1893-910 - PubMed
  33. Nat Chem Biol. 2008 Nov;4(11):682-90 - PubMed
  34. Nat Rev Drug Discov. 2015 Feb;14(2):130-46 - PubMed
  35. J Pharmacol Exp Ther. 1995 Oct;275(1):101-13 - PubMed
  36. Nature. 2010 May 6;465(7294):96-100 - PubMed
  37. Nat Rev Drug Discov. 2017 Jan;16(1):19-34 - PubMed
  38. J Neurochem. 2016 Oct;139 Suppl 2:224-236 - PubMed
  39. Sci Rep. 2016 Jan 05;6:18725 - PubMed
  40. Blood. 2017 Jun 29;129(26):3403-3406 - PubMed
  41. Drug Discov Today. 2012 Jan;17(1-2):23-34 - PubMed
  42. J Med Chem. 2006 Dec 28;49(26):7559-83 - PubMed
  43. Neurotoxicology. 2015 Jan;46:101-16 - PubMed
  44. J Comput Aided Mol Des. 2015 Feb;29(2):183-98 - PubMed
  45. J Med Chem. 2006 Aug 10;49(16):4961-70 - PubMed
  46. Science. 2006 Sep 1;313(5791):1235-6 - PubMed
  47. Nat Rev Microbiol. 2013 Jul;11(7):482-96 - PubMed
  48. J Pharmacol Exp Ther. 2014 Sep;350(3):589-604 - PubMed
  49. J Med Chem. 2009 May 14;52(9):2724-32 - PubMed
  50. Curr Med Chem. 2013;20(13):1623-34 - PubMed
  51. J Med Chem. 2011 Dec 22;54(24):8251-70 - PubMed
  52. J Med Chem. 2013 Nov 27;56(22):8955-71 - PubMed
  53. J Chem Inf Comput Sci. 2004 Mar-Apr;44(2):643-51 - PubMed
  54. Toxicol Appl Pharmacol. 2013 Oct 15;272(2):272-80 - PubMed
  55. J Chem Inf Model. 2014 Jun 23;54(6):1773-84 - PubMed
  56. Front Neurosci. 2016 Jun 10;10:265 - PubMed
  57. Biochem J. 2011 Apr 15;435(2):297-312 - PubMed
  58. Nat Rev Drug Discov. 2004 Apr;3(4):353-9 - PubMed
  59. Front Pharmacol. 2015 Sep 22;6:198 - PubMed
  60. J Neural Transm (Vienna). 2016 Feb;123(2):125-35 - PubMed
  61. Curr Comput Aided Drug Des. 2011 Jun;7(2):146-57 - PubMed
  62. Chem Rev. 2017 Jan 11;117(1):21-37 - PubMed
  63. J Med Chem. 2014 Jun 26;57(12):4977-5010 - PubMed
  64. J Med Chem. 2006 Dec 28;49(26):7607-10 - PubMed
  65. PLoS One. 2012;7(6):e40262 - PubMed
  66. Br J Pharmacol. 2016 Jul;173(14):2195-207 - PubMed
  67. Ther Adv Psychopharmacol. 2017 Jan;7(1):29-41 - PubMed
  68. Mol Pharm. 2013 Apr 1;10(4):1249-61 - PubMed
  69. Nature. 2008 Jul 24;454(7203):486-91 - PubMed
  70. ChemMedChem. 2011 Jul 4;6(7):1152-62 - PubMed
  71. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6062-6 - PubMed
  72. Prog Neurobiol. 2017 Apr;151:4-34 - PubMed
  73. Nat Biotechnol. 2017 Jun;35(6):507-513 - PubMed
  74. Trends Biochem Sci. 2016 Dec;41(12):985-986 - PubMed
  75. J Med Chem. 2008 Feb 14;51(3):347-72 - PubMed
  76. Pharmacol Res. 2004 Jul;50(1):77-85 - PubMed
  77. J Cheminform. 2014 Apr 16;6:14 - PubMed
  78. Curr Pharm Des. 2010;16(25):2799-817 - PubMed
  79. ChemMedChem. 2016 Jun 20;11(12):1190-2 - PubMed
  80. Sci Rep. 2017 Sep 25;7(1):12230 - PubMed
  81. ChemMedChem. 2016 Jun 20;11(12):1259-63 - PubMed
  82. J Med Chem. 2012 Jun 14;55(11):4877-95 - PubMed
  83. ACS Chem Neurosci. 2012 Jan 18;3(1):50-68 - PubMed
  84. Trends Pharmacol Sci. 2005 Jan;26(1):27-35 - PubMed
  85. Angew Chem Int Ed Engl. 2017 Oct 2;56(41):12765-12769 - PubMed
  86. Mol Pharmacol. 2015 Sep;88(3):604-16 - PubMed
  87. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7312-6 - PubMed
  88. Pharmacol Rev. 2013 Dec 31;66(1):334-95 - PubMed
  89. Cell. 2017 Jul 27;170(3):414-427 - PubMed
  90. J Cheminform. 2013 Jun 25;5(1):31 - PubMed
  91. P T. 2016 May;41(5):296-300 - PubMed
  92. J Comput Aided Mol Des. 2012 Jan;26(1):35-8 - PubMed
  93. NeuroRx. 2005 Oct;2(4):541-53 - PubMed
  94. Drug Discov Today. 2004 Aug 1;9(15):641-51 - PubMed
  95. Nat Rev Drug Discov. 2007 Nov;6(11):881-90 - PubMed
  96. J Med Chem. 2004 Dec 2;47(25):6338-48 - PubMed
  97. PLoS One. 2016 Nov 9;11(11):e0165737 - PubMed
  98. BMC Med Genomics. 2015;8 Suppl 4:S4 - PubMed

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