Submitted by chp4012 on April 28, 2021 - 2:53pm
Title | Quantitative metrics for drug-target ligandability. |
Publication Type | Journal Article |
Year of Publication | 2018 |
Authors | Vukovic S, Huggins DJ |
Journal | Drug Discov Today |
Volume | 23 |
Issue | 6 |
Pagination | 1258-1266 |
Date Published | 2018 06 |
ISSN | 1878-5832 |
Keywords | Algorithms, Drug Discovery, Ligands, Molecular Targeted Therapy |
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. |
DOI | 10.1016/j.drudis.2018.02.015 |
Alternate Journal | Drug Discov Today |
PubMed ID | 29522887 |
Grant List | MR/L007266/1 / / Medical Research Council / United Kingdom ML/L007266/1 / / Medical Research Council / United Kingdom |