Web-Based Tools for Polypharmacology Prediction

Awale, Mahendra; Reymond, Jean-Louis (2019). Web-Based Tools for Polypharmacology Prediction. In: Ziegler, Slava; Waldmann, Herbert (eds.) Systems Chemical Biology. Methods in molecular biology: Vol. 1888 (pp. 255-272). Humana Press 10.1007/978-1-4939-8891-4_15

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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.

Item Type:

Book Section (Book Chapter)

Division/Institute:

08 Faculty of Science > Departement of Chemistry and Biochemistry

UniBE Contributor:

Awale, Mahendra and Reymond, Jean-Louis

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

1940-6029

ISBN:

978-1-4939-8890-7

Series:

Methods in molecular biology

Publisher:

Humana Press

Language:

English

Submitter:

Sandra Tanja Zbinden Di Biase

Date Deposited:

19 Dec 2018 14:56

Last Modified:

19 Dec 2018 15:06

Publisher DOI:

10.1007/978-1-4939-8891-4_15

BORIS DOI:

10.7892/boris.122711

URI:

https://boris.unibe.ch/id/eprint/122711

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