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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Detalhes bibliográficos
Publicado no:ChemMedChem
Main Authors: Kumar, Rohit, Ignjatović, Majda Misini, Peterson, Kristoffer, Olsson, Martin, Leffler, Hakon, Ryde, Ulf, Nilsson, Ulf J., Logan, Derek T.
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2019
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Full Papers
Acesso em linha: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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