Journal of chemical information and modelingMolecular Dynamics SimulationSphingosine-1-Phosphate ReceptorsAzetidinesHumansBenzyl Compounds
Selective Activation of GPCRs: Molecular Dynamics Shows Siponimod Binds but Fails To Activate S1PR2, Unlike S1PR1.
Kumari Soniya, Kruthika Avadhani, Chanukya Nanduru, Antarip Halder
Published: 202510.1021/acs.jcim.5c01416
Abstract
G protein-coupled receptors (GPCRs) are central to drug discovery, accounting for nearly 40% of approved pharmaceuticals due to their regulatory role in diverse physiological processes. Given the high structural similarity among homologues, achieving…
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