Evidence map›Paper›PMID 39561160›Full record

ArticlePloS one2024

Role of ruscogenin extracted from Radix Ophiopogon Japonicus in antagonizing 5-hydroxytryptamine and dopamine receptors through computational screening.

Suya Ma, Yongmei Liu

Abstract read
In one paragraph

Article in PloS one, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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

What it found

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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

1 citing paper in PubMed.

  1. Inflammasomes in Sjögren's Disease: Exploring the Therapeutic Value.International journal of molecular sciences · 2026
    Review
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

2 authors.

Suya MaGuang'anmen Hospital, China Academy of Chinese Medicine Sciences, Beijing, China.ORCID 0000-0002-2750-1759
Yongmei LiuGuang'anmen Hospital, China Academy of Chinese Medicine Sciences, Beijing, China.ORCID 0000-0002-7264-7749

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The 5-hydroxytryptamine (5-HT) and dopamine (DA) receptors have emerged as significant targets for therapeutic intervention in psychiatric disorders. Currently, the efficacy of psychiatric drugs is limited by challenges in achieving desired outcomes, the occurrence of adverse effects, dependence, and withdrawal reactions. Consequently, there is a pressing need for the development of safe and effective therapeutic agents for psychiatric disorders. To explore the potential effects of natural product extracts as therapeutic agents for psychiatric disorders, 73 active ingredients from natural medicine extracts were screened to identify potential inhibitors of the serotonin 2A receptor (5-HT2AR) and dopamine D2 receptor (DRD2) using computerized virtual molecular docking. The most effective inhibitor of 5-HT2AR and DRD2 among these natural extracts was then evaluated for its drug-like properties using ADMET analysis, and its mechanisms of antagonism on DRD2 and 5-HT2AR were studied through molecular dynamics simulation. Risperidone was used as a positive control drug. The results showed that ruscogenin (RUS) was the most effective inhibitor of 5-HT2AR and DRD2, possessing favorable drug-like properties (most values of ADMET analysis were within the optimal range). When compared to risperidone, RUS exhibited more stable root mean square deviation (RMSD) plots, lower root mean square fluctuation (RMSF) values from residues 50 to 260, stronger hydrogen bonding interactions, higher compactness, a smaller solvent-accessible surface area (SASA) value, and lower binding free energy (-43.81 kcal/mol vs. -35.68 kcal/mol). RUS also demonstrated inhibitory effects on DRD2, as indicated by stable RMSD plots, low RMSF values from residues 50 to 250, strong hydrogen bonding interactions, high compactness, a small SASA value, and low binding free energy (-35.00 kcal/mol). Consequently, this research suggests that RUS, a natural pharmaceutical extract, is a promising candidate for further validation through clinical studies, representing a potential development of a therapeutic agent targeting psychiatric disorders.

Indexed as

Molecular Docking SimulationReceptors, Dopamine D2HumansMolecular Dynamics SimulationPlant ExtractsReceptor, Serotonin, 5-HT2ASerotonin 5-HT2 Receptor AntagonistsSpirostansPlant ExtractsReceptors, Dopamine D2Receptor, Serotonin, 5-HT2ASerotonin 5-HT2 Receptor AntagonistsSpirostans

Identifiers

PMID39561160
PMCPMC11575806

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Registered trials

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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 OpenQuestion graph.