Screening of small molecule libraries using combined text mining, ligand- and target-driven based approaches for identification of novel granzyme H inhibitors

2021 ◽  
Vol 105 ◽  
pp. 107876
Author(s):  
Saima Ikram ◽  
Fawad Ahmad ◽  
Jamshaid Ahmad ◽  
Serdar Durdagi
Keyword(s):  
Text Mining ◽  
Small Molecule ◽  
Small Molecule Libraries

scholarly journals Screening of DNA-Encoded Small Molecule Libraries inside a Living Cell

2021 ◽  
Vol 143 (7) ◽  
pp. 2751-2756
Author(s):  
Lars K. Petersen ◽  
Allan B. Christensen ◽  
Jacob Andersen ◽  
Charlotta G. Folkesson ◽  
Ole Kristensen ◽  
...  
Keyword(s):  
Small Molecule ◽  
Living Cell ◽  
Small Molecule Libraries

Towards drugging the ‘undruggable’: enhancing the scaffold diversity of synthetic small molecule screening collections using diversity-oriented synthesis

2013 ◽  
Vol 1 (1) ◽  
Author(s):  
Warren R.J.D. Galloway ◽  
David R. Spring
Keyword(s):  
Small Molecule ◽  
Structural Diversity ◽  
Library Size ◽  
Diversity Oriented Synthesis ◽  
Biological Targets ◽  
Small Molecule Screening ◽  
Chemistry Research ◽  
Large Numbers ◽  
Small Molecule Libraries ◽  
Scaffold Diversity

AbstractMedicinal chemistry research has traditionally focused upon a limited set of biological targets. Many other human disease-related targets have been termed ‘undruggable’ as they have proved largely impervious to modulation by small molecules. However, it is becoming increasingly evident that such targets can indeed be modulated; they are simply being challenged with the wrong types of molecules. Traditionally, screening libraries were composed of large numbers of structurally similar compounds. However, library size is not everything; the structural diversity of the library, which is largely dictated by the range of molecular scaffolds present, is crucial. Diversity-oriented synthesis (DOS) generates small molecule libraries with high levels of scaffold, and thus structural, diversity. Such collections should provide hits against a broad range of targets with high frequency, including ‘undruggable’ targets. Examples in the area of scaffold diversity generation taken from the author’s laboratories are given.

scholarly journals Sensitive ADAR editing reporter in cancer cells enables high-throughput screening of small molecule libraries

2018 ◽  
Vol 47 (4) ◽  
pp. e22-e22 ◽  
Author(s):  
Kajsa Fritzell ◽  
Li-Di Xu ◽  
Magdalena Otrocka ◽  
Claes Andréasson ◽  
Marie Öhman
Keyword(s):  
Cancer Cells ◽  
Small Molecule ◽  
High Throughput ◽  
High Throughput Screening ◽  
Small Molecule Libraries ◽  
Adar Editing

scholarly journals Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening

2019 ◽  
Vol 11 (1) ◽  
Author(s):  
Patrick J. Ropp ◽  
Jacob O. Spiegel ◽  
Jennifer L. Walker ◽  
Harrison Green ◽  
Guillermo A. Morales ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Open Source ◽  
Small Molecule ◽  
Open Source Program ◽  
Source Program ◽  
Small Molecule Libraries
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