Structure and Energetics of Ligand–Fluorine Interactions with Galectin‐3 Backbone and Side‐Chain Amides: Insight into Solvation Effects and Multipolar Interactions

Multipolar fluorine–amide interactions with backbone and side‐chain amides have been described as important for protein–ligand interactions and have been used to improve the potency of synthetic inhibitors. In this study, fluorine interactions within a well‐defined binding pocket on galectin‐3 were...

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Veröffentlicht in:ChemMedChem
Hauptverfasser: Kumar, Rohit, Ignjatović, Majda Misini, Peterson, Kristoffer, Olsson, Martin, Leffler, Hakon, Ryde, Ulf, Nilsson, Ulf J., Logan, Derek T.
Format: Artigo
Sprache:Inglês
Veröffentlicht: John Wiley and Sons Inc. 2019
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6772088/
https://ncbi.nlm.nih.gov/pubmed/31246331
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.201900293
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