Mechanism of salidroside in the treatment of chronic myeloid leukemia based on the network pharmacology and molecular docking.

Abstract

Salidroside is a phenolic natural product, which is a kind of Rhodiola rosea. It has been confirmed that it has inhibitory effects on chronic myeloid leukemia, but the specific performance of its molecular effects is still unclear. To systematically study the pharmacological mechanism of salidroside on chronic myeloid leukemia by means of network pharmacology. First,the possible target genes of salidroside were predictedthrough the Traditional Chinese Medicine PharmacologyDatabase and Analysis Platform, the target gene names were converted into standardized gene names using the Uniprot website.Atthesame time, the related target genes of chronic myeloid leukemia were collected from GeneCards and DisGenet; Collect summarydataandscreen forcommonly targetedgenes. Then, the above-mentioned intersected genes were imported into the String website to construct the protein-protein interaction (PPI) network, and the Gene Ontology (GO) functional annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway were further analyzed. To investigate the overall pharmacological effects of salidroside on chronic myeloid leukemia, we constructed a drug component-target gene-disease (CTD) network. Finally, molecular docking was performed to verify the possible binding conformation between salidroside and the candidate target. A total of 126 salidroside target genes were retrieved, and 106 of them had interactions with chronic myeloid leukemia. The pharmacological effects of salidroside on chronic myeloid leukemia are related to some important oncogenes and signaling pathways. Molecular docking studies confirmed thatthe mainroleof salidroside bindingto thetargetgenes is hydrogen bonding. Werevealedthe potential mechanism ofaction ofsalidroside againstchronic myeloid leukemia, verified bynetwork pharmacology combined with moleculardocking. However,salidroside is a promising drug for the prevention and treatment of chronic myeloidleukemia, and further research is needed to prove it.