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Screening Technologies for Lead Structure Discovery

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Drug Design
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Abstract

In the last chapter, examples were presented of how lead structures can be discovered by purposefully searching, particularly by using examples from nature or compounds with known modes of action. Even if a large number of natural products and synthetic substances are available, it is not always easy to filter the active molecules out and to assess their value for a given indication. This requires a time-and cost-intensive sorting or screening of enormous substance libraries. By “screening” is meant the more or less specific biological testing of compounds. Although today molecular test systems and cell culture models are practically exclusively used, the cost for testing a compound is between US $2 and US $5. Because typically millions of compounds are tested, a screening campaign can cost a lot of money!

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Bibliography

General Literature

  • Blundell TL, Jhoti H, Abell C (2002) High-throughput crystallography for lead discovery in drug design. Nat Rev Drug Discov 1:45–54

    Article  PubMed  CAS  Google Scholar 

  • Hajduk PJ, Greer J (2007) A decade of fragment-based drug design: strategic advances and lessons learned. Nat Rev Drug Discov 6:211–219

    Article  PubMed  CAS  Google Scholar 

  • Jahnke W, Erlanson DA (2006) Fragment-based approaches in drug discovery. In: Mannhold R, Kubinyi H, Folkers G (eds) Methods and principles in medicinal chemistry, vol 34. Wiley-VCH, Weinheim

    Google Scholar 

  • Jones AK, Buckingham SD, Sattelle DB (2005) Chemistry-to-gene screens in Caenorhabitis elegans. Nat Rev Drug Discov 4:321–330

    Article  PubMed  CAS  Google Scholar 

  • Klebe G (2006) Virtual ligand screening: strategies, perspectives and limitations. Drug Discov Today 11:580–592

    Article  PubMed  CAS  Google Scholar 

  • Löfås S (2004) Optimizing the hit-to-lead process using SPR analysis. Assay Drug Dev Technol 2:407–415

    PubMed  Google Scholar 

  • Siegel MM (2002) Early discovery drug screening using mass spectrometry. Curr Topics Med Chem 2:13–33

    Article  CAS  Google Scholar 

  • Sotriffer C (2010) Virtual screening. In: Mannhold R, Kubinyi H, Folkers G (eds) Methods and principles in medicinal chemistry, vol 48. Wiley-VCH, Weinheim

    Google Scholar 

  • Vogtherr M, Fiebig K (2003) NMR-based screening methods for lead discovery. In: Hillisch A, Hilgenfeld R (eds) Modern methods of drug discovery. Birkhäusen Verlag, Boston, pp S183–S120. ISBN 376436081X

    Chapter  Google Scholar 

Special Literature

  • Hajduk PJ, Sheppard G, Nettesheim DG, Olejniczak ET, Shuker SB, Meadows RP, Steinman DH, Carrera GM Jr, Marcotte PA, Severin J, Walter K, Smith H, Gubbins E, Simmer R, Holzman TF, Morgan DW, Davidsen SK, Summers JB, Fesik SW (1997) Discovery of potent nonpeptide inhibitors of stromelysin using SAR by NMR. J Am Chem Soc 119:5818–5827

    Article  CAS  Google Scholar 

  • Erlanson DA, Braisted AC, Raphael DR, Randal M, Stroud RM, Gordon EM, Wells JA (2000) Site-directed ligand discovery. Proc Natl Assoc Soc 97:9367–9372

    Article  CAS  Google Scholar 

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Klebe, G. (2013). Screening Technologies for Lead Structure Discovery. In: Klebe, G. (eds) Drug Design. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-17907-5_7

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