Objective: Present study aims to screen the active ingredients of traditional Chinese medicine for treatment of acute myelocytic leukemia.Method: Herbs and compounds for acute myelocytic leukemia (AML) were collected

and the systematic pharmacology approach was used to predict the nature of medicines

potential targets and potential thiol consumption characteristics. shikonin with higher oral Bioavailability (OB)

drug-likeness (DL) and thiol consumption activities were selected as the verification molecule. The potential targets of screened compounds were predicted to build potential compound-target and potential target-disease networks. Key targets and potential active compounds were screened according to topological characteristics. Glutathione (GSH) content was detected by GSH detection kit and OPA fluorescence method after shikonin treatment. Digital gene expression profile sequencing analysis was used to verify the accuracy of the predicted targets after 100 μg·L-1 shikonin treatment on HL-60 cells for 48 h.Result: After in silico screening

we identified 72 active compounds with appropriate OB

DL and thiol consumption characteristics among 4 024 compounds in 40 herbs for acute myelocytic leukemia. Then 10 potential active compounds were obtained which could act on AML related targets. The results verified that shikonin depleted GSH after shikonin (100 μg·L-1) treatment on HL-60 cells and chemical system. The predicted targets could regulate the expression of varied genes in gene chip (100 μg·L-1

48 h).Conclusion: According to the study

systematic pharmacology method and experimental verification were helpful to excavate the potential active ingredients for treatment of acute myelocytic leukemia.