Evidence mapPaperPMID 39770478Full record

ArticlePharmaceuticals (Basel, Switzerland)2024

Identification of a Potential PGK1 Inhibitor with the Suppression of Breast Cancer Cells Using Virtual Screening and Molecular Docking.

Xianghui Chen, Zanwen Zuo, Xianbin Li, Qizhang Li, Lei Zhang

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In one paragraph

Article in Pharmaceuticals (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

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3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

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4 · The record

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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.

Xianghui ChenSchool of Medicine, Shanghai University, Shanghai 200444, China.
Zanwen ZuoInnovative Drug Research Center, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Xianbin LiSchool of Computer and Big Data Science, Jiujiang University, Jiujiang 332000, China.ORCID 0000-0002-9196-7027
Qizhang LiInnovative Drug Research Center, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Lei ZhangSchool of Medicine, Shanghai University, Shanghai 200444, China.

Funding

Collaborative Grant-in-Aid of the HBUT National "111" Center for Cellular Regulation and Molecular Pharmaceutics XBTK-2021006Excellent Scientific Research and Innovation Team of University in Anhui Province 2022AH010029National Key Research and Development Program of China 2022YFC3501700National Natural Science Foundation of China 82225047, 32170274Natural Science Research Project of Anhui Educational Committee 2024AH051675Open Project Funding of the Key Laboratory of Fermentation Engineering (Ministry of Education) 202105FE02
6 · The paper itself

Abstract

BACKGROUND/

objectivesBreast cancer is the second most common malignancy worldwide and poses a significant threat to women's health. However, the prognostic biomarkers and therapeutic targets of breast cancer are unclear. A prognostic model can help in identifying biomarkers and targets for breast cancer. In this study, a novel prognostic model was developed to optimize treatment, improve clinical prognosis, and screen potential phosphoglycerate kinase 1 (PGK1) inhibitors for breast cancer treatment.

methodsUsing data from the Gene Expression Omnibus (GEO) database, differentially expressed genes (DEGs) were identified in normal individuals and breast cancer patients. The biological functions of the DEGs were examined using bioinformatics analysis. A novel prognostic model was then constructed using the DEGs through LASSO and multivariate Cox regression analyses. The relationship between the prognostic model, survival, and immunity was also evaluated. In addition, virtual screening was conducted based on the risk genes to identify novel small molecule inhibitors of PGK1 from Chemdiv and Targetmol libraries. The effects of the potential inhibitors were confirmed through cell experiments.

resultsA total of 230 up- and 325 down-regulated DEGs were identified in HER2, LumA, LumB, and TN breast cancer subtypes. A new prognostic model was constructed using ten risk genes. The analysis from The Cancer Genome Atlas (TCGA) indicated that the prognosis was poorer in the high-risk group compared to the low-risk group. The accuracy of the model was confirmed using the ROC curve. Furthermore, functional enrichment analyses indicated that the DEGs between low- and high-risk groups were linked to the immune response. The risk score was also correlated with tumor immune infiltrates. Moreover, four compounds with the highest score and the lowest affinity energy were identified. Notably, D231-0058 showed better inhibitory activity against breast cancer cells.

conclusionsTen genes (ACSS2, C2CD2, CXCL9, KRT15, MRPL13, NR3C2, PGK1, PIGR, RBP4, and SORBS1) were identified as prognostic signatures for breast cancer. Additionally, results showed that D231-0058 (2-((((4-(2-methyl-1

Indexed as

breast cancerphosphoglycerate kinase 1 (PGK1)prognostic modelvirtual screening

Identifiers

PMID39770478
PMCPMC11676932

What Socratic holds

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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.