Supporting data for Design, synthesis and pharmacological evaluation of novel small molecules as mas-related g protein-coupled receptor x2 (mrgprx2) antagonist for the treatment of pseudo allergic reactions

Pseudo allergic reaction is an immediate systemic fatal hypersensitivity response induced by non-IgE mediated mast cell activation. Mas-related G protein-coupled receptor X2 (MRGPRX2) is a Class A orphan GPCR recently identified as a mast cell receptor responsible for non-IgE-mediated mast cell activation induced by endogenous peptides, exogenous peptides, and several FDA-approved drugs. MRGPRX2 has been recently gained attention as a novel drug target for the treatment of non-IgE-mediated pseudo allergic reactions and several other diseases. Although pseudo allergic reactions are prevalent all over the world, no MRGPRX2 targeted therapeutic drugs are available in the market for the treatment. This thesis aimed to design and develop novel small molecule MRGPRX2 antagonists which can be used to treat pseudo allergic reactions.

The data set contain raw data as well process data of biochemical assays such as mast cell degranulation, MRGPRX2 activation, calcium flux, MCPI & PGD2 release assay, in silico designing designing of small molecule library, molecular docking based screening results, and in vivo animal experimental results (mice model of pseudo allergic reactions, systemic anaphylaxis and histology).