Objective: To analyze pharmacodynamic material basis and mechanism for commonly used anti-diabetic traditional Chinese medicine by molecular docking technology

in order to provide a theoretical basis for modern studies on anti-diabetic traditional Chinese medicines. Method: Chemical components of anti-diabetic traditional Chinese medicines were collected based on literatures to establish the structure database.With seven diabetes therapeutic targets such as dipeptidyl peptidase-IV as the study objects

virtual screening was conducted by the Surflex-Dock module of Sybyl software.With scoring function Total-Score as the standard

interactions between components of traditional Chinese medicine and targets were evaluated.With the Total-Score value at 7

molecules with high score were screened out to further compared with anti-diabetic western medicines in the market in terms of the drug-likeness. Result: There were 52

28

32

150

47

41 and 33 chemical components well combined with dipeptidyl peptidase-IV

glycogen synthase kinase-3

peroxisome proliferator-activated receptor gamma

alpha-glucosidaseare

glucokinase

sodium glucose cotransporter 2 and angiotensin converting enzyme.These small molecule compounds obtained by virtual screening were similar to the western medicine in the market in terms of the drug-likeness. Conclusion: Molecular docking technology can explain pharmacodynamic material basis and mechanism of anti-diabetic traditional Chinese medicines to some extent and provide clues for modern studies on anti-diabetic traditional Chinese medicines.