Evidence map›Paper›PMID 42789242›Full record

ArticlePharmacological reports : PR2026

Deciphering the allosteric landscape of 5-HT

Paweł Śliwa, Karina Pakosz, Aleksandra Banach

Abstract read
PubMed Publisher
In one paragraph

Article in Pharmacological reports : PR, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Paweł ŚliwaFaculty of Chemical Engineering and Technology, Cracow University of Technology, Warszawska 24, Kraków, 31-155, Poland. pawel.sliwa@pk.edu.pl.ORCID https://orcid.org/0000-0001-9662-8481
Karina PakoszFaculty of Chemical Engineering and Technology, Cracow University of Technology, Warszawska 24, Kraków, 31-155, Poland.
Aleksandra BanachFaculty of Chemical Engineering and Technology, Cracow University of Technology, Warszawska 24, Kraków, 31-155, Poland.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

backgroundThe 5-HT

methodsWe integrated Molecular Dynamics (MD) simulations, Dynamical Network Analysis (DNA), and Fragment Molecular Orbital calculations combined with Pair Interaction Energy Decomposition Analysis (FMO/PIEDA). By applying FMO/PIEDA to MD-derived representative structures, we performed an ab initio evaluation of receptor-ligand complexes, quantifying individual residue-ligand pair interaction energies (PIE).

resultsOur results demonstrate that signal transduction is governed by a cooperative allosteric network rather than a single toggle switch, with the conserved R3.50 residue serving as a mandatory endpoint of ligand-induced communication. While agonists initiate the shift toward active-like states, G protein coupling acts as a directional amplifier, focusing communication pathways toward R3.50 and effectively stabilizing the E/DRY ionic lock against disruption. Subtype-specific analyses reveal that the 5-HT

conclusionsThese integrated insights provide a refined structural blueprint of the TM5-TM6-TM7 allosteric landscape, moving beyond isolated residue descriptions. The findings facilitate the rational design of next-generation, non-hallucinogenic agonists or selective modulators by targeting specific energetic and dynamic pathways within the serotonin receptor family. CLINICAL TRIAL NUMBER: Not applicable.

Indexed as

Fragment molecular orbitalMolecular dynamicsPair interaction energy decomposition analysisSerotonin 5-HT2A, 5-HT2B and 5-HT2C receptors

Identifiers

PMID42789242

What Socratic holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.