Key result
Huang yam active compounds show high binding affinity for core targets TP53, RPS27A, and UBC.
Why the study?
Drugs for tumor treatment can cause cardiotoxicity and cardiovascular diseases, necessitating exploration of Huang yam's anticancer and cardioprotective properties.
These in silico affinities generate hypotheses for cardioprotection; should not yet change clinical cardiotoxicity management.
Drugs for the treatment of tumors could result in cardiotoxicity and cardiovascular diseases. We aimed to explore the anticancer properties of Huang yam as well as its cardioprotective properties using network pharmacology and molecular docking technology. The cardiovascular targets of the major chemical components of Huang yam were obtained from the following databases: TCMSP, ETCM, and BATMAN-TCM. The active ingredients of Huang yam were obtained from SwissADME. The cardiovascular targets of antitumor drugs were obtained using GeneCards, OMIM, DrugBank, DisGeNET, and SwissTargetPrediction databases. The drug-disease intersection genes were used to construct a drug-compound-target network using Cytoscape 3.7.1. A protein-protein interaction network was constructed using Cytoscape's BisoGenet, and the core targets of Huang yam were screened to determine their antitumor properties and identify the cardiovascular targets based on topological parameters. Potential targets were imported into the Metascape platform for GO and KEGG analysis. The results were saved and visualized using R software. The components with higher median values in the network were molecularly docked with the core targets. The network contained 10 compounds, including daucosterol, delusive, dioxin, panthogenin-B, and 124 targets, such as TP53, RPS27A, and UBC. The GO function enrichment analysis showed that there were 478 items in total. KEGG enrichment analysis showed a total of 140 main pathways associated with abnormal transcription of cancer, PI3K-Akt signaling pathway, cell cycle, cancer pathway, ubiquitination-mediated proteolysis, and other pathways. Molecular docking results showed that daucosterol, delusive, dioxin, and panthogenin-B had the highest affinity for TP53, RPS27A, and UBC. The treatment of diseases using traditional Chinese medicine encompasses multiple active ingredients, targets, and pathways. Huang yam has the potential to treat cardiotoxicity caused by antitumor drugs.
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Zhang et al. (2021) studied Antitumor drug-induced cardiotoxicity. Huang yam (daucosterol, deltoside, dioscin, and panthogenin-B) was evaluated on Binding affinity and target networks. Network pharmacology and molecular docking revealed that Huang yam active ingredients (daucosterol, deltoside, dioscin, panthogenin-B) demonstrate high affinity for core targets TP53, RPS27A, and UBC.
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