In silico assessment of neuromuscular blocking agents and fluoroquinolones as ligands of the Mas-related G protein-coupled receptor X2
In contrast to fluoroquinolones, NMBAs displayed different affinity for MRGPRX2. Cellular responses in bench experiments closely reflected the MD predictions. Alanine scanning revealed that the MRGPRX2 binding pocket exhibits low susceptibility to single-site mutations that enhance receptor responsiveness.
Authors
- Daniel Bulanda (ORCID: https://orcid.org/0000-0001-9518-4815)
- Grzegorz Porębski (ORCID: https://orcid.org/0000-0002-6146-0188)
- Radosław Kitel (ORCID: https://orcid.org/0000-0003-4718-8082)
- Alicja Dziadowiec (ORCID: https://orcid.org/0000-0002-9675-7790)
- Mateusz Kwitniewski (ORCID: https://orcid.org/0000-0002-2743-6934)
- Hubert Rybka (ORCID: https://orcid.org/0009-0007-1461-1346)
Institutions
- Jagiellonian University (PL)
- AGH University of Krakow (PL)
Publication Details
- Journal
- Pharmacological Reports
- Published
- 2025-12-12
- DOI
- https://doi.org/10.1007/s43440-025-00813-7
- Primary Topic
- Receptor Mechanisms and Signaling
- Type
- article
- Field-Weighted Citation Impact
- 0.00