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Updated: May 7, 2026

Purification and Reconstitution of TRPV1 for Spectroscopic Analysis
Published on: July 3, 2018
Unraveling the benzocaine-receptor interaction at molecular level using mass-resolved spectroscopy
Edurne Aguado1, Iker León, Judith Millán
1Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV/EHU) , B° Sarriena s/n, 48940 Leioa, Spain.
Abstract:
The benzocaine-toluene cluster has been used as a model system to mimic the interaction between the local anesthetic benzocaine and the phenylalanine residue in Na(+) channels. The cluster was generated in a supersonic expansion of benzocaine and toluene in helium. Using a combination of mass-resolved laser-based experimental techniques and computational methods, the complex was fully characterized, finding four conformational isomers in which the molecules are bound through N-H···π and π···π weak hydrogen bonds. The structures of the detected isomers closely resemble those predicted for benzocaine in the inner pore of the ion channels, giving experimental support to previously reported molecular chemistry models.
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