Evidence map›Paper›PMID 41676009›Full record

ArticleFood science & nutrition2026

From Coffee Alkaloid to Ovarian Targets: An Integrated Computational Framework for Trigonelline in Ovarian Aging.

Woon Shin Yong, Yuankun Han, Yulu Shen, Ningyu Sun, Qinhua Zhang

Abstract read
In one paragraph

Article in Food science & nutrition, 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

5 authors.

Woon Shin YongDepartment of Gynecology Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine Shanghai China.ORCID https://orcid.org/0009-0006-0926-7942
Yuankun HanDepartment of Gynecology Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine Shanghai China.ORCID https://orcid.org/0009-0004-4130-1886
Yulu ShenDepartment of Gynecology Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine Shanghai China.
Ningyu SunDepartment of Gynecology Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine Shanghai China.ORCID https://orcid.org/0000-0002-5089-4407
Qinhua ZhangDepartment of Gynecology Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine Shanghai China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Trigonelline, a coffee-derived alkaloid with antioxidant and mitochondrial effects, has been proposed as a candidate modulator of aging, but its specific role in ovarian aging remains unclear. In this study, we applied an integrated in silico strategy combining network pharmacology, protein-protein interaction analyses, molecular docking, 100-ns molecular dynamics simulations, and single-cell transcriptomic data to identify potential trigonelline targets relevant to ovarian aging. Among 57 predicted targets, five (MMP9, JAK2, PARP1, HDAC1, and CYP3A4) emerged as core candidates spanning extracellular matrix remodeling, genome and epigenome maintenance, and endocrine/xenobiotic metabolism. Structural and molecular dynamics simulations combined with single-cell expression patterns converged on PARP1 and MMP9 as the most plausible central mediators of trigonelline's putative age-modulating effects in the ovary, with JAK2 and HDAC1 as intermediate candidates and CYP3A4 as a likely systemic mediator. These exploratory findings provide a conceptual framework that links coffee-derived trigonelline to molecular pathways of ovarian aging and highlight specific targets and pathways for experimental validation in future nutrition and reproductive-aging studies.

Indexed as

molecular dockingmolecular dynamicsmolecular pharmacologynetwork pharmacologyovarian agingtrigonelline

Identifiers

PMID41676009
PMCPMC12887449

What Socratic holds

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LicenceCC BY
Read underepoch 390

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 Socratic graph.