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

Authors
  • Clarelli, Fabrizio1
  • Liang, Jingyi1
  • Martinecz, Antal1
  • Heiland, Ines1
  • Abel zur Wiesch, Pia1, 2
  • 1 UiT The Arctic University of Norway,
  • 2 Centre for Molecular Medicine Norway, Nordic EMBL Partnership, Blindern, P.O. Box 1137, 0318 Oslo, Norway
Type
Published Article
Journal
Cellular and Molecular Life Sciences
Publisher
Springer-Verlag
Publication Date
Nov 25, 2019
Volume
77
Issue
3
Pages
381–394
Identifiers
DOI: 10.1007/s00018-019-03376-y
PMID: 31768605
PMCID: PMC7010620
Source
PubMed Central
Keywords
License
Unknown

Abstract

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.

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