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The invention belongs to the field of pharmaceutical chemistry, and provides an application of virtual screening in the preparation of a protein kinase inhibitor and a drug lead compound, said screening method comprising the following steps : (1) obtaining a candidate compound by means of virtual screening; (2) testing the in vitro protein kinase activity and anti-tumor cell proliferation activity of the candidate compound obtained in step (1), and screening to obtain a target compound. The screening method obtains a target compound which has inhibitory activity on CK2 and lung cancer cells A549, and the method has such advantages as being time-saving, effort-saving, cost-saving, and high-efficiency.
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