Fragment-to-Lead Medicinal Chemistry Publications in 2020

por de Esch, Iwan J. P., Erlanson, Daniel A., Jahnke, Wolfgang, Johnson, Christopher N., Walsh, Louise
Publicado 2021

Structure‐Activity Relationship of Phenylpyrazolones against Trypanosoma cruzi

por Sijm, Maarten, Sterk, Geert Jan, Caljon, Guy, Maes, Louis, de Esch, Iwan J. P., Leurs, Rob
Publicado 2020

Structure Activity Relationship of N-Substituted Phenyldihydropyrazolones Against Trypanosoma cruzi Amastigotes

por Sijm, Maarten, Maes, Louis, de Esch, Iwan J. P., Caljon, Guy, Sterk, Geert Jan, Leurs, Rob
Publicado 2021

Structural Analysis of Chemokine Receptor–Ligand Interactions

por Arimont, Marta, Sun, Shan-Liang, Leurs, Rob, Smit, Martine, de Esch, Iwan J. P., de Graaf, Chris
Publicado 2017

KLIFS: an overhaul after the first 5 years of supporting kinase research

por Kanev, Georgi K, de Graaf, Chris, Westerman, Bart A, de Esch, Iwan J P, Kooistra, Albert J
Publicado 2020

Exploring the Activity Profile of TbrPDEB1 and hPDE4 Inhibitors Using Free Energy Perturbation

por Zara, Lorena, Moraca, Francesca, Van Muijlwijk-Koezen, Jacqueline E., Zarzycka, Barbara, Abel, Robert, de Esch, Iwan J. P.
Publicado 2022

PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands

por Simon, Icaro A., Homan, Evert J., Wijtmans, Maikel, Sundström, Michael, Leurs, Rob, De Esch, Iwan J. P., Zarzycka, Barbara A.
Publicado 2023

Function-specific virtual screening for GPCR ligands using a combined scoring method

por Kooistra, Albert J., Vischer, Henry F., McNaught-Flores, Daniel, Leurs, Rob, de Esch, Iwan J. P., de Graaf, Chris
Publicado 2016

Targeted LC–MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA

por Eggink, Mark, Wijtmans, Maikel, Kretschmer, Ansgar, Kool, Jeroen, Lingeman, Henk, de Esch, Iwan J. P., Niessen, Wilfried M. A., Irth, Hubertus
Publicado 2010

The binding characteristics and orientation of a novel radioligand with distinct properties at 5-HT(3)A and 5-HT(3)AB receptors

por Thompson, Andrew J., Verheij, Mark H.P., Verbeek, Joost, Windhorst, Albert D., de Esch, Iwan J.P., Lummis, Sarah C.R.
Publicado 2014

KLIFS: a structural kinase-ligand interaction database

por Kooistra, Albert J., Kanev, Georgi K., van Linden, Oscar P.J., Leurs, Rob, de Esch, Iwan J.P., de Graaf, Chris
Publicado 2016

A fluorescent approach for identifying P2X1 ligands

por Ruepp, Marc-David, Brozik, James A., de Esch, Iwan J.P., Farndale, Richard W., Murrell-Lagnado, Ruth D., Thompson, Andrew J.
Publicado 2015

Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain

por Akdemir, Atilla, Edink, Ewald, Thompson, Andrew J., Lummis, Sarah C.R., Kooistra, Albert J., de Graaf, Chris, de Esch, Iwan J.P.
Publicado 2012

3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery

por Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris
Publicado 2018

Design, Synthesis, and Structure–Activity Relationships of Highly Potent 5-HT(3) Receptor Ligands

por Verheij, Mark H. P., Thompson, Andrew J., van Muijlwijk-Koezen, Jacqueline E., Lummis, Sarah C. R., Leurs, Rob, de Esch, Iwan J. P.
Publicado 2012

Structure–Activity Relationships of Quinoxaline-Based 5-HT(3)A and 5-HT(3)AB Receptor-Selective Ligands

por Thompson, Andrew J, Verheij, Mark H P, van Muijlwijk-Koezen, Jacqueline E, Lummis, Sarah C R, Leurs, Rob, de Esch, Iwan J P
Publicado 2013

Exploring the Effect of Cyclization of Histamine H(1) Receptor Antagonists on Ligand Binding Kinetics

por Wang, Zhiyong, Bosma, Reggie, Kuhne, Sebastiaan, van den Bor, Jelle, Garabitian, Wrej, Vischer, Henry F., Wijtmans, Maikel, Leurs, Rob, de Esch, Iwan J.P.
Publicado 2021

EPHA4 is overexpressed but not functionally active in Sézary syndrome

por Hameetman, Liesbeth, van der Fits, Leslie, Zoutman, Willem H., Out-Luiting, Jacoba J., Siegal, Gregg, de Esch, Iwan J.P., Vermeer, Maarten H., Tensen, Cornelis P.
Publicado 2015

Bromo-Cyclobutenaminones as New Covalent UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) Inhibitors

por Hamilton, David J., Ábrányi-Balogh, Péter, Keeley, Aaron, Petri, László, Hrast, Martina, Imre, Tímea, Wijtmans, Maikel, Gobec, Stanislav, de Esch, Iwan J. P., Keserű, György Miklós
Publicado 2020

Green Drug Discovery: Novel Fragment Space from the Biomass-Derived Molecule Dihydrolevoglucosenone (Cyrene(TM))

por Dekker, Tom, Harteveld, Jaap W., Wágner, Gábor, de Vries, Max C. M., Custers, Hans, van de Stolpe, Andrea C., de Esch, Iwan J. P., Wijtmans, Maikel
Publicado 2023