Quantitative metrics for drug-target ligandability.


Change log
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)