Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking
Objective To explore the mechanism of isorhamnetin (Iso) in the treatment of oral squamous cell carcinoma (OSCC) using network pharmacology and molecular docking methods and to verify it <i>in vitro</i>. Methods The key targets were obtained by constructing the PPI protein interaction ne...
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Editorial Department of Journal of Prevention and Treatment for Stomatological Diseases
2025-01-01
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| Series: | 口腔疾病防治 |
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| Online Access: | https://www.kqjbfz.com/fileup/2096-1456/PDF/2096-1456（2025）01--10.pdf |
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| author | YU Fangfang, ZHOU Jingjing, YANG Jie, QU Huijuan, HUI Guangyan |
| author_facet | YU Fangfang, ZHOU Jingjing, YANG Jie, QU Huijuan, HUI Guangyan |
| author_sort | YU Fangfang, ZHOU Jingjing, YANG Jie, QU Huijuan, HUI Guangyan |
| collection | DOAJ |
| description | Objective To explore the mechanism of isorhamnetin (Iso) in the treatment of oral squamous cell carcinoma (OSCC) using network pharmacology and molecular docking methods and to verify it <i>in vitro</i>. Methods The key targets were obtained by constructing the PPI protein interaction network based on the common intersection targets of Iso-OSCC. At the same time, gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) were used to analyze the related signaling pathways of the intersection targets. Iso and core targets were also analyzed through molecular docking and visualization. Colony formation assay and Transwell assay were used to identify the effect of Iso on the proliferation and invasion of Cal-27 cells. Western blot was used to analyze the regulatory effects of different concentrations of Iso on estrogen receptor-1 (ESR1), phosphoinositide-3-kinase regulatory subunit-1 (PIK3R1), Src tyrosine kinase (SRC), and phosphatidylinositol 3-kinase (PI3K)/protein kinase B (AKT) signaling pathway proteins. Results A total of 269 potential intersection targets of Iso-regulated OSCC were obtained. According to the degree obtained by topological analysis, PIK3R1, AKT1, SRC, ESR1, and other core targets were screened out. KEGG analysis showed that 165 signaling pathways were enriched in the intersection targets of Iso-OSCC, among which the PI3K/AKT signaling pathway played an important role in the treatment of OSCC with Iso. Molecular docking results showed that the absolute value of binding energy between target proteins PIK3R1, AKT1, SRC, ESR1, and Iso was high. After Cal-27 cells were treated with Iso, the number of cell colony formations, the number of transmembrane cells, and the expression of PIK3R1, ESR1, SRC, p-PI3K, and p-AKT were negatively correlated with the increase in Iso concentration (<i>P</i> < 0.05). Conclusion Iso can inhibit PI3K/AKT signal transduction and influence the expression of PIK3R1, AKT1, SRC, and ESR1 proteins, thereby inhibiting the occurrence and development of OSCC. |
| format | Article |
| id | doaj-art-478eea8bb1554d4fb2a1e3f6c4295800 |
| institution | Kabale University |
| issn | 2096-1456 |
| language | zho |
| publishDate | 2025-01-01 |
| publisher | Editorial Department of Journal of Prevention and Treatment for Stomatological Diseases |
| record_format | Article |
| series | 口腔疾病防治 |
| spelling | doaj-art-478eea8bb1554d4fb2a1e3f6c42958002025-01-22T03:36:02ZzhoEditorial Department of Journal of Prevention and Treatment for Stomatological Diseases口腔疾病防治2096-14562025-01-01331142310.12016/j.issn.2096-1456.202440355Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular dockingYU Fangfang, ZHOU Jingjing, YANG Jie, QU Huijuan, HUI Guangyan01 Department of Stomatology, Qingdao Navy Special Service Convalescence Center, Qingdao 266071, China;2 Department of Stomatology, Toutunhe Farm Hospital, 12th Division of Xinjiang Production and Construction Corps, Urumqi 830000, China;3 Department of Stomatology, Affiliated Hospital of Shandong Second Medical University, Weifang 266000, China;4 School of Stomatology, Shandong Second Medical University, Weifang 261053, ChinaObjective To explore the mechanism of isorhamnetin (Iso) in the treatment of oral squamous cell carcinoma (OSCC) using network pharmacology and molecular docking methods and to verify it <i>in vitro</i>. Methods The key targets were obtained by constructing the PPI protein interaction network based on the common intersection targets of Iso-OSCC. At the same time, gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) were used to analyze the related signaling pathways of the intersection targets. Iso and core targets were also analyzed through molecular docking and visualization. Colony formation assay and Transwell assay were used to identify the effect of Iso on the proliferation and invasion of Cal-27 cells. Western blot was used to analyze the regulatory effects of different concentrations of Iso on estrogen receptor-1 (ESR1), phosphoinositide-3-kinase regulatory subunit-1 (PIK3R1), Src tyrosine kinase (SRC), and phosphatidylinositol 3-kinase (PI3K)/protein kinase B (AKT) signaling pathway proteins. Results A total of 269 potential intersection targets of Iso-regulated OSCC were obtained. According to the degree obtained by topological analysis, PIK3R1, AKT1, SRC, ESR1, and other core targets were screened out. KEGG analysis showed that 165 signaling pathways were enriched in the intersection targets of Iso-OSCC, among which the PI3K/AKT signaling pathway played an important role in the treatment of OSCC with Iso. Molecular docking results showed that the absolute value of binding energy between target proteins PIK3R1, AKT1, SRC, ESR1, and Iso was high. After Cal-27 cells were treated with Iso, the number of cell colony formations, the number of transmembrane cells, and the expression of PIK3R1, ESR1, SRC, p-PI3K, and p-AKT were negatively correlated with the increase in Iso concentration (<i>P</i> < 0.05). Conclusion Iso can inhibit PI3K/AKT signal transduction and influence the expression of PIK3R1, AKT1, SRC, and ESR1 proteins, thereby inhibiting the occurrence and development of OSCC.https://www.kqjbfz.com/fileup/2096-1456/PDF/2096-1456（2025）01--10.pdfisorhamnetin|oral squamous cell carcinoma|pi3k/akt signaling pathway|src tyrosine kinase|estrogen receptor-1|network pharmacology|molecular docking|experimental verification <i>in vitro</i> |
| spellingShingle | YU Fangfang, ZHOU Jingjing, YANG Jie, QU Huijuan, HUI Guangyan Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking 口腔疾病防治 isorhamnetin|oral squamous cell carcinoma|pi3k/akt signaling pathway|src tyrosine kinase|estrogen receptor-1|network pharmacology|molecular docking|experimental verification <i>in vitro</i> |
| title | Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking |
| title_full | Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking |
| title_fullStr | Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking |
| title_full_unstemmed | Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking |
| title_short | Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking |
| title_sort | exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking |
| topic | isorhamnetin|oral squamous cell carcinoma|pi3k/akt signaling pathway|src tyrosine kinase|estrogen receptor-1|network pharmacology|molecular docking|experimental verification <i>in vitro</i> |
| url | https://www.kqjbfz.com/fileup/2096-1456/PDF/2096-1456（2025）01--10.pdf |
| work_keys_str_mv | AT yufangfangzhoujingjingyangjiequhuijuanhuiguangyan exploringtheinhibitoryeffectandmechanismofisorhamnetintherapyonoralsquamouscellcarcinomabasedonnetworkpharmacologyandmoleculardocking |