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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Bibliografische gegevens
Gepubliceerd in:ChemMedChem
Hoofdauteurs: Kumar, Rohit, Ignjatović, Majda Misini, Peterson, Kristoffer, Olsson, Martin, Leffler, Hakon, Ryde, Ulf, Nilsson, Ulf J., Logan, Derek T.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: John Wiley and Sons Inc. 2019
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Online toegang: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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