Novel Computational Approaches to Polypharmacology as a Means to Define Responses to Individual Drugs

DOI Web Site 1 Citations
  • Lei Xie
    Department of Computer Science, Hunter College, The City University of New York, New York, New York 10065;
  • Li Xie
    Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, California 92093;
  • Sarah L. Kinnings
    Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093
  • Philip E. Bourne
    Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, California 92093;

Description

<jats:p> Polypharmacology, which focuses on designing therapeutics to target multiple receptors, has emerged as a new paradigm in drug discovery. Polypharmacological effects are an attribute of most, if not all, drug molecules. The efficacy and toxicity of drugs, whether designed as single- or multitarget therapeutics, result from complex interactions between pharmacodynamic, pharmacokinetic, genetic, epigenetic, and environmental factors. Ultimately, to predict a drug response phenotype, it is necessary to understand the change in information flow through cellular networks resulting from dynamic drug-target interactions and the impact that this has on the complete biological system. Although such is a future objective, we review recent progress and challenges in computational techniques that enable the prediction and analysis of in vitro and in vivo drug-response phenotypes. </jats:p>

Journal

Citations (1)*help

See more

Details 詳細情報について

Report a problem

Back to top