Virtual screening of anti-angiogenesis quinolizidine alkaloids from Leguminosae plant / 中草药

ABSTRACT

Objective: To investigate the mechanism of quinacridine alkaloids based on the systematic of screening compounds that play antitumor effect. Methods: The virtual screening technique was used and collected 103 quinolizidine alkaloids from Leguminosae plants, and selected eight targets, which were closely related to angiogenesis. The compounds were screened by using the LibDock module in Discovery Studio 2.5 (DS 2.5) software. In addition, the small-molecule approved drugs of targets from DrugBank database have scores, the minimum score of each target's approved drugs as threshold and the original ligand scoring were set as a reference. Results: Nineteen compounds were screened out, which scores were higher than the minimum score of approved drugs as well as being in the top of 10%, and the mechanism of quinolizidine alkaloids anti-angiogenesis was preliminarily revealed. Conclusion: The results suggest that the quinolizidine alkaloids may inhibit angiogenesis to play the role of antitumor, diabetic vascular complications and so on. Compared with traditional screening, virtual screening technology saves a lot of time, energy and resources, provided a new method for the development of angiogenesis inhibitor drugs.