A drug-likeness toolbox facilitates ADMET study in drug discovery

CY Jia, JY Li, GF Hao, GF Yang - Drug discovery today, 2020 - Elsevier
Highlights•Online resources facilitate in silico drug-likeness study.•Databases gathering
high quality and up to date data are essential for drug-likeness evaluation.•Web servers for …

Therapies for rare diseases: therapeutic modalities, progress and challenges ahead

E Tambuyzer, B Vandendriessche, CP Austin… - Nature Reviews Drug …, 2020 - nature.com
Most rare diseases still lack approved treatments despite major advances in research
providing the tools to understand their molecular basis, as well as legislation providing …

Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review

P Csermely, T Korcsmáros, HJM Kiss, G London… - Pharmacology & …, 2013 - Elsevier
Despite considerable progress in genome-and proteome-based high-throughput screening
methods and in rational drug design, the increase in approved drugs in the past decade did …

Large-scale prediction and testing of drug activity on side-effect targets

E Lounkine, MJ Keiser, S Whitebread, D Mikhailov… - Nature, 2012 - nature.com
Discovering the unintended 'off-targets' that predict adverse drug reactions is daunting by
empirical methods alone. Drugs can act on several protein targets, some of which can be …

BDDCS applied to over 900 drugs

LZ Benet, F Broccatelli, TI Oprea - The AAPS journal, 2011 - Springer
Here, we compile the Biopharmaceutics Drug Disposition Classification System (BDDCS)
classification for 927 drugs, which include 30 active metabolites. Of the 897 parent drugs …

Polypharmacology: drug discovery for the future

AS Reddy, S Zhang - Expert review of clinical pharmacology, 2013 - Taylor & Francis
In recent years, even with remarkable scientific advancements and a significant increase of
global research and development spending, drugs are frequently withdrawn from markets …

Network‐based approaches in pharmacology

B Boezio, K Audouze, P Ducrot… - Molecular …, 2017 - Wiley Online Library
In drug discovery, network‐based approaches are expected to spotlight our understanding
of drug action across multiple layers of information. On one hand, network pharmacology …

Information retrieval and text mining technologies for chemistry

M Krallinger, O Rabal, A Lourenco, J Oyarzabal… - Chemical …, 2017 - ACS Publications
Efficient access to chemical information contained in scientific literature, patents, technical
reports, or the web is a pressing need shared by researchers and patent attorneys from …

DrugCentral: online drug compendium

O Ursu, J Holmes, J Knockel, CG Bologa… - Nucleic acids …, 2016 - academic.oup.com
Abstract DrugCentral (http://drugcentral. org) is an open-access online drug compendium.
DrugCentral integrates structure, bioactivity, regulatory, pharmacologic actions and …

Drug repurposing from an academic perspective

TI Oprea, JE Bauman, CG Bologa, T Buranda… - Drug Discovery Today …, 2011 - Elsevier
Academia and small business research units are poised to play an increasing role in drug
discovery, with drug repurposing as one of the major areas of activity. Here we summarize …