Optimization of MrgX2 Antagonists Based on the “Cell Membrane Chromatography-Molecular Docking” Approach

-r_psp_MMGBSA_dG_Bind_Lipo" approach by integrating CMC with molecular docking for the optimization of MrgX2 antagonists. Utilizing this approach, compound BER-5 was designed, synthesized, and demonstrated as a potent MrgX2 antagonist with antiallergic effects in vitro and in vivo. The successful application of this approach demonstrates its potential and rationality for further optimizing MrgX2 antagonists and holds promise for broader application in drug development targeting GPCRs on the membrane.