Chemical Matter

2021 ◽  
pp. 191-218
Author(s):  
Allan Barton
Keyword(s):  
2021 ◽  
Author(s):  
Maximillian Taro William Lee ◽  
William Mahy ◽  
Mark David Rackham

This manuscript reviews the compounds historically used to modulate mitochondria, and offers a perspective on which targets have been convincingly (in)validated with high quality chemical matter and those which remain untested.


2018 ◽  
Vol 23 (6) ◽  
pp. 532-545 ◽  
Author(s):  
Subhas J. Chakravorty ◽  
James Chan ◽  
Marie Nicole Greenwood ◽  
Ioana Popa-Burke ◽  
Katja S. Remlinger ◽  
...  

High-throughput screening (HTS) hits include compounds with undesirable properties. Many filters have been described to identify such hits. Notably, pan-assay interference compounds (PAINS) has been adopted by the community as the standard term to refer to such filters, and very useful guidelines have been adopted by the American Chemical Society (ACS) and subsequently triggered a healthy scientific debate about the pitfalls of draconian use of filters. Using an inhibitory frequency index, we have analyzed in detail the promiscuity profile of the whole GlaxoSmithKline (GSK) HTS collection comprising more than 2 million unique compounds that have been tested in hundreds of screening assays. We provide a comprehensive analysis of many previously published filters and newly described classes of nuisance structures that may serve as a useful source of empirical information to guide the design or growth of HTS collections and hit triaging strategies.


Molecules ◽  
2019 ◽  
Vol 24 (8) ◽  
pp. 1629 ◽  
Author(s):  
Johannes Ottl ◽  
Lukas Leder ◽  
Jonas V. Schaefer ◽  
Christoph E. Dumelin

The scope of targets investigated in pharmaceutical research is continuously moving into uncharted territory. Consequently, finding suitable chemical matter with current compound collections is proving increasingly difficult. Encoded library technologies enable the rapid exploration of large chemical space for the identification of ligands for such targets. These binders facilitate drug discovery projects both as tools for target validation, structural elucidation and assay development as well as starting points for medicinal chemistry. Novartis internalized two complementing encoded library platforms to accelerate the initiation of its drug discovery programs. For the identification of low-molecular weight ligands, we apply DNA-encoded libraries. In addition, encoded peptide libraries are employed to identify cyclic peptides. This review discusses how we apply these two platforms in our research and why we consider it beneficial to run both pipelines in-house.


2011 ◽  
Vol 124 (1) ◽  
pp. 136-139 ◽  
Author(s):  
Martin Jansen ◽  
Ilya V. Pentin ◽  
J. Christian Schön

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