Multi-scale modeling of drug binding kinetics to predict drug efficacy

Fabrizio Clarelli, Jingyi Liang, Antal Martinecz, Ines Heiland, Pia Abel zur Wiesch

Research output: Contribution to journalReview articlepeer-review

15 Scopus citations


Optimizing drug therapies for any disease requires a solid understanding of pharmacokinetics (the drug concentration at a given time point in different body compartments) and pharmacodynamics (the effect a drug has at a given concentration). Mathematical models are frequently used to infer drug concentrations over time based on infrequent sampling and/or in inaccessible body compartments. Models are also used to translate drug action from in vitro to in vivo conditions or from animal models to human patients. Recently, mathematical models that incorporate drug-target binding and subsequent downstream responses have been shown to advance our understanding and increase predictive power of drug efficacy predictions. We here discuss current approaches of modeling drug binding kinetics that aim at improving model-based drug development in the future. This in turn might aid in reducing the large number of failed clinical trials.

Original languageEnglish (US)
Pages (from-to)381-394
Number of pages14
JournalCellular and Molecular Life Sciences
Issue number3
StatePublished - Feb 1 2020

All Science Journal Classification (ASJC) codes

  • Molecular Medicine
  • Molecular Biology
  • Pharmacology
  • Cellular and Molecular Neuroscience
  • Cell Biology


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