A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring-Reference-Cited by-同舟云学术

A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring

Published:2017-01-18 Issue:7 Volume:56 Page:1908-1913
ISSN:1433-7851
Container-title:Angewandte Chemie International Edition
language:en
Short-container-title:Angew. Chem. Int. Ed.

Author:

Cramer Jonathan¹,Schiebel Johannes¹,Wulsdorf Tobias¹,Grohe Kristof²³,Najbauer Eszter Eva²,Ehrmann Frederik R.¹,Radeva Nedyalka¹,Zitzer Nina¹,Linne Uwe⁴,Linser Rasmus²³,Heine Andreas¹,Klebe Gerhard¹^ORCID

Affiliation:

1. Institut für Pharmazeutische Chemie; Philipps-Universität Marburg; Marbacher Weg 6 35032 Marburg Germany

2. Abteilung für NMR-basierte Strukturbiologie; Max Planck Institut für Biophysikalische Chemie; Am Faßberg 11 37077 Göttingen Germany

3. Fakultät für Chemie und Pharmazie; Ludwig-Maximilians-Universität München; Butenandtstr. 5-13, Haus F 81377 München Germany

4. Fachbereich Chemie; Philipps-Universität Marburg; Hans-Meerwein-Straße 4 35043 Marburg Germany

Publisher

Wiley

Subject

General Chemistry,Catalysis

Reference21 articles.

1. Broad Coverage of Commercially Available Lead-like Screening Space with Fewer than 350,000 Compounds

2. New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

3. Learning from our mistakes: The ‘unknown knowns’ in fragment screening

4. A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

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