Evidence map›Paper›PMID 40512223›Full record

ArticleJournal of molecular modeling2025

Identification of potential human targets for epigallocatechin gallate through a novel protein binding site screening approach.

Jernej Hirci, Sandra Škufca, Tanja Kunej, Dušanka Janežič, Janez Konc

Abstract read
In one paragraph

Article in Journal of molecular modeling, 2025. 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

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

1 citing paper in PubMed.

  1. Bioactive compounds fromFrontiers in pharmacology · 2026
    Article
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.

Jernej Hirci *Theory Department, National Institute of Chemistry, Hajdrihova 19, SI-1001, Ljubljana, Slovenia.
Sandra Škufca *Theory Department, National Institute of Chemistry, Hajdrihova 19, SI-1001, Ljubljana, Slovenia.
Tanja KunejDepartment of Animal Science, Biotechnical Faculty, University of Ljubljana, Groblje 3, 1230, Domzale, Slovenia.
Dušanka JanežičFaculty of Mathematics, Natural Sciences and Information Technologies, University of Primorska, Glagoljaška ulica 8, SI-6000, Koper, Slovenia.
Janez KoncTheory Department, National Institute of Chemistry, Hajdrihova 19, SI-1001, Ljubljana, Slovenia. konc@cmm.ki.si.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextEpigallocatechin-3-gallate (EGCG), a compound found in green tea, is known for its anticancer properties, although its specific protein targets remain largely undefined. In this study, we identified EGCG targets across the human proteome using a novel protein binding site screening approach. Among the 20 most likely predicted targets, six proteins-KRAS, FXa, MMP1, PLA2G2A, Hb, and CDK2-had been experimentally validated in previous studies. Fourteen additional proteins, including five kinases, were newly predicted as potential targets, all of which are implicated in cancer development and may mediate EGCG's anticancer effects. Enrichment analysis revealed KEGG pathways associated with cancer, with KRAS and PIM1 appearing as key nodes. These findings, which align with previous experimental research, offer new insights into the molecular mechanisms of EGCG and its potential role in modulating cancer-related pathways.

methodsAn approach was devised to screen EGCG with 36,532 human protein binding sites using the ProBiS-Dock algorithm and the ProBiS-Dock database. Network and enrichment analyses with Cytoscape and StringApp identified protein interactions and KEGG pathways, revealing potential anticancer mechanisms of EGCG.

Indexed as

CatechinBinding SitesHumansMolecular Docking SimulationProtein BindingProtein Interaction MapsCatechinepigallocatechin gallateEpigallocatechin-3-gallateInverse molecular dockingProBiS-Dock algorithmProBiS-Dock DatabaseTarget protein prediction

Identifiers

PMID40512223
PMCPMC12165993

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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.