Tom Dekker, Oscar P. J. van Linden, Herman D. Lim, Mabel E. Dekker, Henry F. Vischer, Rob Leurs, Tiffany van der Meer, Maurice C. M. L. Buzink, David J. Hamilton, Barbara Zarzycka, Elwin Janssen, Maikel Wijtmans and Iwan J. P. de Esch
RSC Med. Chem., 2026, Advance Article
Abstract
Fragment-based drug discovery enables translation of novel (3D) chemistries into biologically relevant hit matter, as demonstrated by the identification and optimization of a cyclobutane-based 3D fragment into a potent histamine H1 receptor ligand.
Kapil Kumar Goel, Sandhya Chahal, Devendra Kumar, Shivani Jaiswal, Nidhi Nainwal, Rahul Singh, Shriya Mahajan, Pramod Rawat, Savita Yadav, Prachi Fartyal, Gazanfar Ahmad, Vibhu Jha and Ashish Ranjan Dwivedi
RSC Med. Chem., 2024,15, 4138-4152
Abstract
In the quest to identify new anti-Alzheimer agents, we employed drug repositioning or drug repositioning techniques on approved USFDA small molecules.
Lars C. P. Binkhorst, Ivana Josimovic, Daan de Vetten, Tyrone J. Nijman, Niels J. Hauwert, Sufyan Ahmad, Oscar P. J. van Linden, Iwan J. P. de Esch, Henry F. Vischer, Maikel Wijtmans and Rob Leurs
RSC Med. Chem., 2025,16, 5041-5051
From themed collection:
Photoswitches and Photopharmacology
Abstract
Despite the pharmacological relevance of the histamine H1 receptor (H1R), the second most therapeutically targeted G protein-coupled receptor (GPCR), an effective photoswitchable ligand to optically control this receptor remains elusive.
Shuoyan Tan, Xiaoqing Gong, Huanxiang Liu and Xiaojun Yao
Phys. Chem. Chem. Phys., 2024,26, 19775-19786
Abstract
Structurally guided virtual screening and alchemical free energy calculations identify LY2023-001 as a novel and potent LRRK2 inhibitor.
Keran Wang, Yanwen Huang, Yan Wang, Qidong You and Lei Wang
RSC Med. Chem., 2024,15, 3978-4000
From themed collection:
Editor’s Choice Collection
Abstract
CADD and AIDD contribute to the drug discovery.