ArticleFrontiers in bioinformatics2026
Transcriptomics-driven identification of CDK1 as a central oncogenic driver in TNBC: an
Article in Frontiers in bioinformatics, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
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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.
The trial behind it
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Who cites it
1 citing paper in PubMed.
- Integrative transcriptomics and structure-based screening identifiesFrontiers in bioinformatics · 2026Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Introduction: Triple-negative breast cancer (TNBC) is an aggressive subtype that lacks ER, PR, and HER2 receptors, which limits the availability of targeted therapies. In this study, we analyzed CDK1 as a potential molecular target and evaluated natural compounds that might inhibit its activity. Methods: Transcriptomic comparison revealed 85 commonly upregulated mRNAs in TNBC, and functional enrichment combined with PPI network analysis indicated CDK1 as a major hub gene. To search for potential inhibitors, we screened an anticancer-focused phytochemical library from the SuperNatural 3.0 database using molecular docking followed by ADMET assessment. Results: Among the screened molecules, CID17584963 showed the strongest binding energy (-8.09 kcal/mol) and displayed pharmacokinetic properties comparable to or better than those of paclitaxel. Long-timescale (500 ns) molecular dynamics simulations further supported the stability of the CDK1-CID17584963 complex, with root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration, solvent-accessible surface area (SASA), hydrogen-bond profiles, and principal component analysis (PCA) all indicating consistent interactions throughout the trajectory. Discussion: Taken together, these findings indicate that CID17584963 interacts with CDK1 more stably than the reference drug and may serve as a promising natural compound for further studies in TNBC therapy.
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