Searching for putative binding sites of the bispyridinium compound MB327 in the nicotinic acetylcholine receptor.

•The 3D nAChR structure has been screen using the bispyridinium compound MB327.•Two putative binding sites for MB327 were identified inside the channel pore.•Both MB327 sites are asymmetrically lined with hydrophilic and lipophilic residues.•Asymmetrical substitution of MB327 offers new approach for resensitization of nAChR.