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TitleDesign, synthesis and structural mechanism of action of TRPV1 agonist MSP20 with long-lasting analgesic effect.
Journal, issue, pagesNat Commun, Year 2026
Publish dateJul 6, 2026
AuthorsArthur Neuberger / Isabella Romeo / Francesca Aiello / Alexey Alekseev / Samuele Maramai / Federica Pessina / Chiara Vagaggini / Federica Poggialini / Elena Dreassi / Maria Frosini / Aniello Schiano Moriello / Luciano De Petrocellis / Andrea Maria Morace / Carmela Belardo / Michela Perrone / Roozbe Bonsale / Livio Luongo / Sabatino Maione / Irina A Talyzina / Stefano Alcaro / Anna Artese / Antonella Brizzi / Alexander I Sobolevsky /
PubMed AbstractTransient receptor potential vanilloid type-1 (TRPV1) channel is a polymodal receptor involved in pain perception and neuronal signalling that represents a promising target for the development of ...Transient receptor potential vanilloid type-1 (TRPV1) channel is a polymodal receptor involved in pain perception and neuronal signalling that represents a promising target for the development of analgesics and neuroprotective agents. In this study we implement a combination of computational techniques and targeted design of chemical libraries to discover benzothiophene-substituted TRPV1 agonists with high affinity and efficacy toward TRPV1. In vitro functional experiments show that prolonged or repeated exposure to these compounds induce calcium-dependent desensitization of TRPV1, making it insensitive to noxious stimuli. We solve a cryo-electron microscopy (cryo-EM) structure of human TRPV1 (hTRPV1) in complex with the most promising benzothiophene-substituted agonist MSP20. The structure reveals molecular details of MSP20 binding to the vanilloid site and a desensitized conformation of hTRPV1, characterized by the closed ion channel pore, α-helical C-terminus and distinct behaviour of annular lipids. Our in vivo experiments demonstrate that MSP20 exhibits robust and long-lasting antinociceptive activity with ex-vivo neuroprotective effects, supporting the perspective of benzothiophene-substituted vanilloids as future analgesics.
External linksNat Commun / PubMed:42409805
MethodsEM (single particle)
Resolution2.6 Å
Structure data

71555

9pea

EMDB-71555, PDB-9pea:
Cryo-EM structure of full-length human TRPV1 in complex with analgesic MSP20
Method: EM (single particle) / Resolution: 2.6 Å

Chemicals

PDB-1chv:
ELUCIDATION OF THE SOLUTION STRUCTURE OF CARDIOTOXIN ANALOGUE V FROM THE TAIWAN COBRA (NAJA NAJA ATRA) VENOM

ChemComp-POV:
(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate / phospholipid*YM

ChemComp-CLR:
CHOLESTEROL

ChemComp-TRD:
TRIDECANE

ChemComp-NA:
Unknown entry

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / transient receptor potential V family member 1 / TRP / channel / TRPV1 / TRP channels / analgesic / MSP20 / pain / analgesia / agonist / synthesis / vanilliod

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