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

por Kumar, Rohit, Ignjatović, Majda Misini, Peterson, Kristoffer, Olsson, Martin, Leffler, Hakon, Ryde, Ulf, Nilsson, Ulf J., Logan, Derek T.
Publicado 2019

3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-Sites for High-Affinity and High-Selectivity Inhibition of Galectin-3

por Dahlqvist, Alexander, Mandal, Santanu, Peterson, Kristoffer, Håkansson, Maria, Logan, Derek T., Zetterberg, Fredrik R., Leffler, Hakon, Nilsson, Ulf J.
Publicado 2019

Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands

por Peterson, Kristoffer, Collins, Patrick M., Huang, Xiaoli, Kahl-Knutsson, Barbro, Essén, Sofia, Zetterberg, Fredrik R., Oredsson, Stina, Leffler, Hakon, Blanchard, Helen, Nilsson, Ulf J.
Publicado 2018

Entropy–Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C

por Wallerstein, Johan, Ekberg, Vilhelm, Ignjatović, Majda Misini, Kumar, Rohit, Caldararu, Octav, Peterson, Kristoffer, Wernersson, Sven, Brath, Ulrika, Leffler, Hakon, Oksanen, Esko, Logan, Derek T., Nilsson, Ulf J., Ryde, Ulf, Akke, Mikael
Publicado 2021

Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease

por Zetterberg, Fredrik R., MacKinnon, Alison, Brimert, Thomas, Gravelle, Lise, Johnsson, Richard E., Kahl-Knutson, Barbro, Leffler, Hakon, Nilsson, Ulf J., Pedersen, Anders, Peterson, Kristoffer, Roper, James A., Schambye, Hans, Slack, Robert J., Tantawi, Susan
Publicado 2022