Structure-based design of anticancer drugs based on β-elemene: Research foundations and development potential.

Haiyi Chen, Yuntao Yu, Chenghong Hu, Lehuang Zhou, Zhe Wang, Odin Zhang, Yi Wang, Tian Xie

Abstract readReview

In one paragraph

Review in Journal of pharmaceutical analysis, 2025. 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

8 authors.

Haiyi ChenSchool of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.

Yuntao YuCollege of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058, China.

Chenghong HuSchool of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.

Lehuang ZhouSchool of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.

Zhe WangSchool of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.

Odin ZhangCollege of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058, China.

Yi WangSchool of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.

Tian XieSchool of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

β-elemene, a bioactive compound derived from traditional Chinese medicine (TCM), has been clinically used in cancer therapy. However, its molecular physicochemical properties require further optimization, and its precise anticancer mechanisms remain unknown. In modern drug development, structure-based drug design (SBDD) has significantly conserved resources, with computer-aided techniques such as molecular docking and molecule generation playing essential roles. A comprehensive review of existing molecular biology studies and virtual docking experiments led to the hypothesis that methyltransferase-like 3 (METTL3) may serve as a potential target of β-elemene. This discovery establishes a scientific foundation for integrating advanced, rational drug design strategies with β-elemene to enhance the therapeutic efficacy of TCM. Moreover, current (AI)-based molecular generation models were examined, focusing on

Indexed as

Drug designMolecular generationVirtual screeningβ-elemene

Identifiers

PMID41399412

DOI10.1016/j.jpha.2025.101325

PMCPMC12701995

What Socratic holds

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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 Socratic graph.