ArticleCell biochemistry and biophysics2025
Therapeutic Role of Quercetin in Prostate Cancer: A Study of Network Pharmacology, Molecular Docking, and Dynamics Simulation.
Article in Cell biochemistry and biophysics, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Molecular Targets and Potential Mechanisms of Luteolin Against Cervical Carcinoma: Integrative Approach Combining Network Pharmacology, Molecular Docking, Molecular Dynamics Simulations, and In Vitro Validation.Chemistry & biodiversity · 2026Article
- Quercetin improves retinal glycolysis to slow myopia progression through orchestrating the AKT/FOXO/HK2 axis.Redox biology · 2026Article
- UHPLC-Q-Orbitrap-HRMS-Based Multilayer Mapping of the Pharmacodynamic Substance Basis and Mechanistic Landscape of Maizibizi Wan in Chronic Nonbacterial Prostatitis Therapy.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Repurposing the Tyrosine Kinase Inhibitors Targeting FGFR and VEGFR Pathways for Cancer Therapy: A Comprehensive Review.Cancers · 2025Review
- AI driven network pharmacology: Multi-scale mechanisms of traditional Chinese medicine from molecular to patient analysis.Computational and structural biotechnology journal · 2025Review
- Synergistic effects of Chinese herbal formula combined with Microcin J25 againstFrontiers in veterinary science · 2025Article
- Mechanism of Jianpixiaoke Recipe in Treating Type 2 Diabetes Based on Network Pharmacology and Molecular Docking.International journal of endocrinology · 2025Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Prostate cancer (PCa) is a major cause of cancer-related mortality in men. This study explores the anticancer potential of Quercetin, a polyphenolic compound with antioxidant and anti-inflammatory properties, by network pharmacology, molecular docking, and molecular dynamics simulation approaches. Target genes for Quercetin and PCa were identified from the bioinformatics databases MalaCards, Comparative Toxicogenomics Databases, SwissTargetPrediction, and Traditional Chinese Medicine Systems Pharmacology, and the obtained genes were matched using the Venny platform to find out the common genes. We obtained 11 preliminary genes and analyzed them in ShinyGO-0.77 databases to obtain genetic otology data. Then, we constructed a protein-protein interaction network in STRING, which enabled us to identify six hub genes AKT1, EGFR, MMP2, MMP9, PARP1, and ABCG2. Hub genes were analyzed in the TISIDB database for immune cell infiltration. Furthermore, a molecular docking study between the target proteins and Quercetin was performed in the SwissDock databases. Subsequently, we corroborated the docking with molecular dynamics studies using GROMACS software. Gene Ontology and KEGG pathway analyses revealed that Quercetin influences oxidative stress, mitochondrial function, and metalloproteinase activity. Immune cell infiltration analysis highlighted correlations between key genes and specific immune responses, suggesting a modulatory role of Quercetin in the tumor microenvironment. Finally, docking and molecular dynamics analysis showed that Quercetin has a stable interaction with the hub genes. In conclusion, these findings underline the potential of Quercetin to induce apoptosis, inhibit angiogenesis, and suppress metastasis, proposing it as a promising therapeutic tool for the treatment of PCa. However, additional experimental studies are required to translate these findings into clinical practice.
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Registered trials
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