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  4. Vol 6, Issue 4, 2024

Study of the Mechanism of Action of Fructus Meliae Toosendan in the Treatment of Colorectal Cancer Based on GEO Database, Network Pharmacology and Molecular Docking

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DOI: 10.23977/medcm.2024.060407 | Downloads: 25 | Views: 726

Author(s)

Zhaoshuang Li 1,2, Qinyou Ren 2, Bizhu Geng 2, Yue Hao 1,2, Xinya Wen 1,2, Liang Cao 2

Affiliation(s)

1 Shaanxi University of Chinese Medicine, Shiji Avenue, Xianyang, Shaanxi, 712000, China
2 The Second Affiliated Hospital of Air Force Medical University, Xinsi Avenue, Xi'an, Shaanxi, 710000, China

Corresponding Author

Liang Cao

ABSTRACT

This study aimed to elucidate the potential mechanism of action of Fructus Meliae Toosendan (FMT) in the treatment of Colorectal Cancer (CRC). We searched the Traditional Chinese Medicine System Pharmacology (TCMSP) database for the main active ingredients of FMT and their corresponding targets. Using the Gene Expression Omnibus (GEO) database, we organized the CRC therapeutic targets and utilized the Venny 2.1.0 platform to draw Venn diagrams. We constructed disease-component-target network diagrams and core genes using Cytoscape. Based on the co-acting targets, we performed Gene Ontology (GO) function enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses. Key targets and active ingredients were verified through molecular docking. We identified nine potentially active compounds corresponding to 78 potential drug targets. By mapping with 3,269 CRC disease targets, we obtained the top 10 core targets through topology analysis, including MYC, BCL2, CCND1, IL6, FOS, PLAU, CCNB1, IGFBP3, RUNX2, and CAV1. Enrichment analysis revealed that the primary therapeutic pathways for CRC include the AGE-RAGE signaling pathway in diabetic complications, the p53 signaling pathway, the HIF-1 signaling pathway, among others. Molecular docking results showed binding energies of Quercetin with BCL2, MYC, and CCND1, as well as Medioresil and Balanophonin with BCL2, were less than -7.0 kcal/mol, suggesting strong binding abilities between the receptors and ligands. Quercetin, Medioresil, and Balanophonin, active ingredients in FMT, primarily engage in mediating the p53 and HIF-1 signaling pathways to treat CRC by regulating core gene targets such as MYC, BCL2, CCND1, and IL6. This study provides insights into the potential mechanism of FMT for CRC treatment and offers guidance for subsequent pharmacological research and clinical applications.

KEYWORDS

FMT, CRC, Network pharmacology, Molecular docking, Antitumor effect

CITE THIS PAPER

Zhaoshuang Li, Qinyou Ren, Bizhu Geng, Yue Hao, Xinya Wen, Liang Cao, Study of the Mechanism of Action of Fructus Meliae Toosendan in the Treatment of Colorectal Cancer Based on GEO Database, Network Pharmacology and Molecular Docking. MEDS Chinese Medicine (2024) Vol. 6: 49-57. DOI: http://dx.doi.org/10.23977/medcm.2024.060407.

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