Magnetic field effects on the binding site of A2A receptor. An insight based on atomistic simulations

In recent years, applications regarding the use of Pulsed ElectroMagnetic Fields (PEMFs) have been growing thanks to important therapeutic implications found through in vitro and in vivo experiments. Experimental results converge in identifying a transmembrane receptor, e.g., the adenosine receptor A2A, as a potential target for PEMFs application. This family of receptors plays a central role in a broad range of physiological processes which has made them important targets for structural biology. However, in silico modeling of this important receptor in presence of an external magnetic field is lacking. This paper provides an analysis for global and local molecular effects, especially for two main residues implicated in the so-called salt bridge interaction, that occurs in the extracellular part of the receptor when a static magnetic field with 1 T in intensity is applied.