Challenges of antibacterial discovery

LL Silver - Clinical microbiology reviews, 2011 - Am Soc Microbiol
The discovery of novel small-molecule antibacterial drugs has been stalled for many years.
The purpose of this review is to underscore and illustrate those scientific problems unique to …

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global research and development spending, drugs are frequently withdrawn from markets …

Structure-based systems biology for analyzing off-target binding

L **e, L **e, PE Bourne - Current opinion in structural biology, 2011 - Elsevier
Here off-target binding implies the binding of a small molecule of therapeutic interest to a
protein target other than the primary target for which it was intended. Increasingly such off …

The role of fragment-based and computational methods in polypharmacology

G Bottegoni, AD Favia, M Recanatini, A Cavalli - Drug discovery today, 2012 - Elsevier
Polypharmacology-based strategies are gaining increased attention as a novel approach to
obtaining potentially innovative medicines for multifactorial diseases. However, some within …

Large-scale off-target identification using fast and accurate dual regularized one-class collaborative filtering and its application to drug repurposing

H Lim, A Poleksic, Y Yao, H Tong, D He… - PLoS computational …, 2016 - journals.plos.org
Target-based screening is one of the major approaches in drug discovery. Besides the
intended target, unexpected drug off-target interactions often occur, and many of them have …

Protein–ligand-based pharmacophores: generation and utility assessment in computational ligand profiling

J Meslamani, J Li, J Sutter, A Stevens… - Journal of chemical …, 2012 - ACS Publications
Ligand profiling is an emerging computational method for predicting the most likely targets of
a bioactive compound and therefore anticipating adverse reactions, side effects and drug …