Molecular mechanism study of cancer treatment based on network pharmacology of lily

Abstract

OBJECTIVE: To make predictions related to the treatment of cancer by lily. METHODS: A systematic study of the constituents, targets and pathways of lily and cancer treatment was conducted using network pharmacology and molecular docking methods. The active ingredients of lily were screened and selected for investigation using TCMSP, Uniprot and PubChem databases, and the "ingredient-target-pathway" correlation axis was established. PubChem was used to collect the compounds in lily, and the active ingredients and targets with OB≥30% and DL≥0.18 in lily were obtained using the TCMSP Chinese medicine database. The active ingredients that met the criteria were also screened, and the binding patterns of the core targets and active ingredients were verified using molecular docking techniques before the active ingredients in lily were genetically aligned using Uniprot, and the corresponding genes were collated. The genes of different cancers were collated using CTD. Cytoscape 3.9.0 was used to create a map of the active ingredients and their corresponding targets. Finally, the results obtained were used to make predictions related to the treatment of cancer in lily. Results: The herb-compound-target network was obtained through screening. After cross-matching the active targets of the chemical components in lily with various cancers, 42 intersecting targets were obtained. Conclusion: The rank values (degree) of the intersecting targets were analysed and six targets with a degree greater than 5 were found to be PTGS2 (12), MMP1 (10), PPARG (8), HSP90AA1 (8), TP53 (8) and ESR2 (6); the diseases that were closely linked to the targets were Cancer, unspecific (The findings of this paper may provide a reference for the development of relevant targeted drugs and targeted therapeutic approaches in the future.