Anti-tumor mechanism study on saffron by network pharmacology and reverse molecular docking
10.12206/j.issn.2097-2024.202206066
- VernacularTitle:基于网络药理学和反向分子对接的西红花抗肿瘤作用机制研究
- Author:
Xiangqing MENG
1
;
Lihua LI
1
;
Hongrui WANG
1
;
Dan JIA
1
;
Min JIA
1
Author Information
1. School of Pharmacy, Naval Medical University, Shanghai 200433, China.
- Keywords:
saffron;
network pharmacology;
molecular docking;
anti-tumor mechanism
- From:
Journal of Pharmaceutical Practice
2023;41(3):160-167
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the anti-tumor mechanism of saffron (Crocus sativus L.) by network pharmacology and reverse molecular docking techniques. Methods The main chemical components of saffron were obtained by searching published literature and TCMSP database. The potential targets of these components were predicted using PharmMapper server. The corresponding target genes were identified from UniProt database. The underlying anti-tumor targets of saffron were obtained by mapping the disease genes of cancer or tumor with GeneCards, OMIM and TTD databases. Cytoscape software was used to construct the action target network of saffron active components. The protein-protein interaction analysis was performed by String database, and the GO function and KEGG pathway enrichment analysis were performed by Metascape platform. Finally, molecular docking was performed to evaluate the binding of main components with their potential targets. Results A total of 9 active ingredients in saffron including quercetin, kaempferol, isorhamnetin, picrocrocin and crocin I, were identified, which might act on 37 key targets including AKT1, CCND1, MMP9, EGFR, TP53, involved in P53, TNF and other signaling pathways. Molecular docking indicated modest binding potency through hydrogen bonding, and hydrophobic interactions. Conclusion The anti-tumor effect of saffron was evaluated via the network of components-targets-pathways, which might provide a foundation for further research.
