Introduction to fragment-based drug discovery

DA Erlanson - Fragment-based drug discovery and X-ray …, 2012 - Springer
Fragment-based drug discovery (FBDD) has emerged in the past decade as a powerful tool
for discovering drug leads. The approach first identifies starting points: very small molecules …

NMR methods in fragment screening: theory and a comparison with other biophysical techniques

C Dalvit - Drug Discovery Today, 2009 - Elsevier
Nuclear magnetic resonance, surface plasmon resonance and fluorescence spectroscopy
(particularly fluorescence anisotropy and fluorescence lifetime) are techniques often applied …

Dipicolinic acid derivatives as inhibitors of New Delhi metallo-β-lactamase-1

AY Chen, PW Thomas, AC Stewart… - Journal of medicinal …, 2017 - ACS Publications
The efficacy of β-lactam antibiotics is threatened by the emergence and global spread of
metallo-β-lactamase (MBL) mediated resistance, specifically New Delhi metallo-β-lactamase …

A fragment-based method to discover irreversible covalent inhibitors of cysteine proteases

SG Kathman, Z Xu, AV Statsyuk - Journal of medicinal chemistry, 2014 - ACS Publications
A novel fragment-based drug discovery approach is reported which irreversibly tethers drug-
like fragments to catalytic cysteines. We attached an electrophile to 100 fragments without …

[图书][B] Studies in natural products chemistry

A Rahman - 2023 - books.google.com
Studies in Natural Products Chemistry, Volume 79 covers the synthesis, testing and
recording of the medicinal properties of natural products, providing cutting-edge accounts of …

Design and NMR-based screening of LEF, a library of chemical fragments with different local environment of fluorine

A Vulpetti, U Hommel, G Landrum… - Journal of the …, 2009 - ACS Publications
A novel strategy for the design of a fluorinated fragment library that takes into account the
local environment of fluorine is described. The procedure, based on a fluorine fingerprints …

Exploring weak ligand–protein interactions by long‐lived NMR states: improved contrast in fragment‐based drug screening

R Buratto, D Mammoli, E Chiarparin… - Angewandte Chemie …, 2014 - Wiley Online Library
Ligands that have an affinity for protein targets can be screened very effectively by exploiting
favorable properties of long‐lived states (LLS) in NMR spectroscopy. In this work, we …

How to catch a membrane protein in action: a review of functional membrane protein immobilization strategies and their applications

V Fruh, AP IJzerman, G Siegal - Chemical Reviews, 2011 - ACS Publications
Analysis of the results from the human proteome project suggests> 30% of proteins are
membrane bound. 1 Membrane proteins (MPs) are in the core group responsible for signal …

Drugging challenging targets using fragment-based approaches

AG Coyne, DE Scott, C Abell - Current opinion in chemical biology, 2010 - Elsevier
Fragment-based approaches have now become firmly established in the drug discovery
armoury. After notable early successes against protein kinases, the versatility and power of …

The identification of new metallo-β-lactamase inhibitor leads from fragment-based screening

P Vella, WM Hussein, EWW Leung, D Clayton… - Bioorganic & medicinal …, 2011 - Elsevier
The emergence of metallo-β-lactamases (MBLs) capable of hydrolysing a broad spectrum of
β-lactam antibiotics is particularly concerning for the future treatment of bacterial infections …