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The role of systems modeling in drug discovery and predictive health

Systems biology is the result of a confluence of recent advances in molecular biology, engineering, and the computational sciences. It can loosely be categorized into experimental and computational systems biology. Experimental high-throughput methods, assisted by robotics, image analysis, and bioinformatics, have been used in the drug industry for quite a while, and current screening tests for drug efficacy and toxicity regularly involve genomic, proteomic, and molecular modeling approaches. By contrast, the role of computational methods of biological systems analysis is still emerging. This presentation focuses on computational systems modeling and its increasingly important role at several junctures of the drug development pipeline. Examples to be discussed include mathematical models for receptor dynamics, pharmacokinetics, and metabolic and signaling pathway analysis. In the context of the latter, Biochemical Systems Theory is proposed as a highly advantageous default framework for model design, diagnostics, manipulation, and system optimization. The development of dynamic models for complex disease processes permits the straightforward inclusion of methods for custom-tailoring models, which is a key step toward personalized medicine and predictive health [15].


  1. Voit EO: Computational Analysis of Biochemical Systems. A Practical Guide for Biochemists and Molecular Biologists. 2000, Cambridge University Press, Cambridge, UK, xii + 530

    Google Scholar 

  2. Voit EO: Metabolic modeling: A tool of drug discovery in the post-genomic era. Drug Discovery Today. 2002, 7 (11): 621-628. 10.1016/S1359-6446(02)02280-8.

    Article  CAS  Google Scholar 

  3. Voit EO: The dawn of a new era of metabolic systems analysis. Drug Discovery Today BioSilico. 2004, 2 (5): 182-189. 10.1016/S1741-8364(04)02419-9.

    Article  CAS  Google Scholar 

  4. Voit EO, Brigham KL: The role of systems biology in predictive health and personalized medicine. The Open Path. J. 2008, 2: 68-70. 10.2174/1874375700802010068.

    Article  Google Scholar 

  5. Voit EO: A systems-theoretical framework for health and disease. Math Biosc. 2009, 217: 11-18. 10.1016/j.mbs.2008.09.005.

    Article  Google Scholar 

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Correspondence to Eberhard O Voit.

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Voit, E.O. The role of systems modeling in drug discovery and predictive health. J Cheminform 2 (Suppl 1), O2 (2010).

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