A Potential Route of Capsaicin to Its Binding Site in the TRPV1 Ion Channel.

ABSTRACT: Transient receptor potential (TRP) ion channels are important pharmacological targets because of their role in the perception of pain, and so, understanding their chemical regulation is essential for the development of analgesic drugs. Among the currently known TRP channel chemical agonists, capsaicin, the active compound of chili pepper, is probably the most exhaustively studied. The availability of the three-dimensional structure of the vanilloid receptor 1 (TRPV1) has fueled computational studies revealing the molecular details of capsaicin binding modes. Although this is a significant step, a comprehensible binding mechanism or pathway is invaluable for targeting TRP channels in modern pharmacology. In the present work, free-energy and enhanced sampling techniques have been used to exp

SUBMITTER: Domene C 

PROVIDER: S-EPMC9131452 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature