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Web-Based Tools for Polypharmacology Prediction

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Systems Chemical Biology

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1888))

Abstract

Drug promiscuity or polypharmacology is the ability of small molecules to interact with multiple protein targets simultaneously. In drug discovery, understanding the polypharmacology of potential drug molecules is crucial to improve their efficacy and safety, and to discover the new therapeutic potentials of existing drugs. Over the past decade, several computational methods have been developed to study the polypharmacology of small molecules, many of which are available as Web services. In this chapter, we review some of these Web tools focusing on ligand based approaches. We highlight in particular our recently developed polypharmacology browser (PPB) and its application for finding the side targets of a new inhibitor of the TRPV6 calcium channel.

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Acknowledgment

This work was supported financially by the Swiss National Science Foundation, NCCR TransCure.

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Authors and Affiliations

  1. Department of Chemistry and Biochemistry, National Center of Competence in Research NCCR TransCure, University of Berne, Berne, Switzerland

    Mahendra Awale & Jean-Louis Reymond

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  1. Mahendra Awale
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  2. Jean-Louis Reymond
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Correspondence to Jean-Louis Reymond .

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Editors and Affiliations

  1. Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Dortmund, Germany

    Slava Ziegler

  2. Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Dortmund, Germany

    Herbert Waldmann

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Awale, M., Reymond, JL. (2019). Web-Based Tools for Polypharmacology Prediction. In: Ziegler, S., Waldmann, H. (eds) Systems Chemical Biology. Methods in Molecular Biology, vol 1888. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-8891-4_15

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  • DOI: https://doi.org/10.1007/978-1-4939-8891-4_15

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  • Print ISBN: 978-1-4939-8890-7

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