Screening, Growing, and Validation by Catalog: Using Synthetic Intermediates from Natural Product Libraries to Discover Fragments for an Aspartic Protease Through Crystallography

Screening, Growing, and Validation by Catalog: Using Synthetic Intermediates from Natural Product Libraries to Discover Fragments for an Aspartic Protease Through Crystallography

Fragment screening directly on protein crystals has been applied using AnalytiCon’s collection of intermediates that have been utilized to generate libraries of larger synthetic natural product-like molecules. The fragments with well-balanced physicochemical properties show an impressively high hit...

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Bibliographic Details
Main Authors: Franziska U. Huschmann, Janis Mueller, Alexander Metz, Moritz Ruf, Johanna Senst, Serghei Glinca, Johannes Schiebel, Andreas Heine, Gerhard Klebe
Format: Article
Language:English
Published: MDPI AG 2024-08-01
Series:Crystals
Subjects:
crystallographic fragment screening
aspartyl proteases
natural product-like molecules
fragment validation with enlarged follow-up compounds
off-the-shelf follow-up compounds
Online Access:https://www.mdpi.com/2073-4352/14/9/755
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