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Network Pharmacology Prediction and Experimental Validation of Trichosanthes-Fritillaria thunbergii Action Mechanism Against Lung Adenocarcinoma
Published on: March 3, 2023
To explore the effect of kaempferol on non-small cell lung cancer based on network pharmacology and molecular docking
Junli Zhang1, Xiangqi Liu1, Guoying Zhang2
1Innovative Institute of Chinese Medicine and Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, China.
Abstract:
Non-small cell lung cancer (NSCLC) is a common pathological type of lung cancer, which has a serious impact on human life, health, psychology and life. At present, chemotherapy, targeted therapy and other methods commonly used in clinic are prone to drug resistance and toxic side effects. Natural extracts of traditional Chinese medicine (TCM) have attracted wide attention in cancer treatment because of their small toxic and side effects. Kaempferol is a flavonoid from natural plants, which has been proved to have anticancer properties in many cancers such as lung cancer, but the exact molecular mechanism is still unclear. Therefore, on the basis of in vitro experiments, we used network pharmacology and molecular docking methods to study the potential mechanism of kaempferol in the treatment of non-small cell lung cancer. The target of kaempferol was obtained from the public database (PharmMapper, Swiss target prediction), and the target of non-small cell lung cancer was obtained from the disease database (Genecards and TTD). At the same time, we collected gene chips GSE32863 and GSE75037 in conjunction with GEO database to obtain differential genes. By drawing Venn diagram, we get the intersection target of kaempferol and NSCLC. Through enrichment analysis, PI3K/AKT is identified as the possible key signal pathway. PIK3R1, AKT1, EGFR and IGF1R were selected as key targets by topological analysis and molecular docking, and the four key genes were further verified by analyzing the gene and protein expression of key targets. These findings provide a direction for further research of kaempferol in the treatment of NSCLC.
Insights
Kaempferol shows potential in treating non-small cell lung cancer (NSCLC) by targeting the PI3K/AKT pathway. This natural compound may offer a safer alternative to traditional therapies for NSCLC patients.
Area of Science:
- Pharmacology
- Oncology
- Computational Biology
Background:
- Non-small cell lung cancer (NSCLC) presents significant health challenges, with current treatments facing drug resistance and toxicity.
- Natural compounds, like kaempferol from traditional Chinese medicine, are emerging as promising alternatives due to lower side effects.
- The precise molecular mechanisms of kaempferol's anti-cancer effects, particularly in NSCLC, require further elucidation.
Purpose of the Study:
- To investigate the potential molecular mechanism of kaempferol in treating non-small cell lung cancer (NSCLC).
- To identify key targets and signaling pathways affected by kaempferol in NSCLC using network pharmacology and molecular docking.
Main Methods:
- Network pharmacology was employed to identify potential targets of kaempferol and NSCLC.
- Public databases (PharmMapper, Swiss Target Prediction, Genecards, TTD, GEO) were utilized to gather target and gene expression data.
- Venn diagrams, enrichment analysis, topological analysis, and molecular docking were performed to identify key targets and pathways.
- Gene and protein expression of key targets were analyzed for verification.
Main Results:
- The PI3K/AKT signaling pathway was identified as a crucial pathway potentially modulated by kaempferol in NSCLC.
- Key targets, including PIK3R1, AKT1, EGFR, and IGF1R, were pinpointed through network analysis and molecular docking.
- Molecular docking simulations supported the interaction between kaempferol and these key targets.
- Analysis of gene and protein expression provided further validation for the identified key genes.
Conclusions:
- Kaempferol demonstrates potential as a therapeutic agent for non-small cell lung cancer (NSCLC).
- The PI3K/AKT pathway and specific targets like PIK3R1, AKT1, EGFR, and IGF1R are implicated in kaempferol's mechanism of action.
- These findings offer a foundation for further research into kaempferol-based NSCLC treatments.
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