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Quantitative metrics for drug-target ligandability.

Published version
Peer-reviewed

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Authors

Vukovic, Sinisa 
Huggins, David J 

Abstract

Ligandability is a prerequisite for druggability and is a much easier concept to understand, model and predict because it does not depend on the complex pharmacodynamic and pharmacokinetic mechanisms in the human body. In this review, we consider a metric for quantifying ligandability from experimental data. We discuss ligandability in terms of the balance between effort and reward. The metric is evaluated for a standard set of well-studied drug targets - some traditionally considered to be ligandable and some regarded as difficult. We suggest that this metric should be used to systematically improve computational predictions of ligandability, which can then be applied to novel drug targets to predict their tractability.

Description

Keywords

Algorithms, Drug Discovery, Ligands, Molecular Targeted Therapy

Journal Title

Drug Discov Today

Conference Name

Journal ISSN

1359-6446
1878-5832

Volume Title

23

Publisher

Elsevier BV
Sponsorship
Engineering and Physical Sciences Research Council (EP/F032773/1)
Engineering and Physical Sciences Research Council (EP/J017639/1)
Medical Research Council (MR/L007266/1)