Evidence mapPaperPMID 41973296Full record

ArticleSaudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society2026

Computational renaissance in herbal medicine: A 20-year bibliometric deciphering of molecular dynamics simulations reshaping traditional Chinese medicine drug discovery.

Liming Ye, Yawei Liu, Xuetao Peng, Minyi He

Abstract read
In one paragraph

Article in Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society, 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

4 authors.

Liming YeSun Yat-Sen Memorial Hospital, Sun Yat-Sen University, Guangzhou, China.
Yawei LiuMedical Research Center, The Eighth Affiliated Hospital, Southern Medical University The First People's Hospital of Shunde, Foshan, Guangzhou, China.
Xuetao PengThe Eighth Affiliated Hospital, Southern Medical University The First People's Hospital of Shunde, Foshan, No. 1 Jiazi Road, Lunjiao Street, Foshan, China. 281786009@qq.com.
Minyi HeDepartment of Science and Education, The Eighth Affiliated Hospital, Southern Medical University The First People's Hospital of Shunde, Foshan, No. 1 Jiazi Road, Lunjiao Street, Foshan, China. hmy705@smu.edu.cn.ORCID http://orcid.org/0000-0002-6550-108X

Funding

Foshan Science and Technology Bureau 2420001003729Guangdong Provincial Education Department Scientific Research Platforms and Projects 202430-8Guangdong Provincial Medical Research Fund B2025301National Natural Science Foundation of China 82570592Research Initiation Project of Shunde Hospital, Southern Medical University SRSP2024021Southern Medical University ZL2023113Southern Medical University ZL2024135
6 · The paper itself

Abstract

Molecular dynamics (MD) simulations have emerged as pivotal tools for deciphering the molecular mechanisms of Traditional Chinese Medicine (TCM), yet a comprehensive analysis of their global impact has not been conducted. We conducted a 20-year bibliometric analysis (2006-2025 December 31) of 6054 publications from the Web of Science Core Collection, Scopus and CNKI employing R packages and VOSviewer to map publication trends, collaborations, thematic evolution, and disease foci. Annual output surged from 1 article in 2006 to 1268 in 2024, representing a 1268-fold increase over the 19-year period (2006-2024). By December 31, 2025, the output for 2025 had already reached 1835 articles, indicating sustained momentum. China (46.8%), India (24.7%), and Saudi Arabia (9.9%) dominated research, with robust South-South collaborations (e.g., India-Saudi Arabia: weight = 229). Key journals included Journal of Biomolecular Structure & Dynamics (503 articles) and Phytomedicine (185 articles). Methodological shifts revealed progression from docking (2022) toward AI-driven bioinformatics (2024). Disease focus pivoted from chronic conditions (pre-2020) to infectious diseases (36.63% during COVID-19), then rebounded to cancer (+ 193% for breast cancer) and neurodegeneration (+ 182%).This computational renaissance positions MD simulations-augmented by AI and robust cross-regional collaboration-as indispensable for modernizing TCM. Future work must prioritize protocol standardization, open-data platforms that leverage global computational strengths, and translational validation to unlock TCM's full phytopharmacological potential.

Indexed as

Artificial intelligenceBibliometric analysisComputational phytopharmacologyMolecular dynamics simulationsMulti-target drug discoveryTraditional Chinese Medicine

Identifiers

PMID41973296
PMCPMC13076803

What Socratic holds

Textmetadata
LicenceCC BY-NC-ND
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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.