Which Properties Allow Ligands to Open and Bind to the Transient Binding Pocket of Human Aldose Reductase?

Which Properties Allow Ligands to Open and Bind to the Transient Binding Pocket of Human Aldose Reductase?

The transient specificity pocket of aldose reductase only opens in response to specific ligands. This pocket may offer an advantage for the development of novel, more selective ligands for proteins with similar topology that lack such an adaptive pocket. Our aim was to elucidate which properties all...

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Bibliographic Details
Main Authors: Anna Sandner, Khang Ngo, Christoph P. Sager, Frithjof Scheer, Michael Daude, Wibke E. Diederich, Andreas Heine, Gerhard Klebe
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Biomolecules
Subjects:
diabetes
aldose reductase (ALR-2)
binding mode
protein-ligand interaction
structure-based drug design
electronic surface potential area (ESP)
Online Access:https://www.mdpi.com/2218-273X/11/12/1837

Internet

https://www.mdpi.com/2218-273X/11/12/1837

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