Objective On the basis of molecular docking， to predict the mechanism of Linggui Zhugan Decoction in preventing and treating chronic heart failure. Methods Characteristic constituents of Linggui Zhugan Decoction docked with AMPK， SIRT1 and IKKβ targets of AMPK/SIRT1/NF-κB signaling pathway by using Molecule Operating Environment（MOE）software. Results The binding capacity of liquiritin to AMPK， SIRT1 and IKKβ targets are higher than those of their own ligands. Other chemical components have different degrees of binding with AMPK， SIRT1 and IKKβ targets. Conclusion Molecular docking predicts that Linggui Zhugan Decoction may play an important role in AMPK/SIRT1/NF-κB signaling pathway， and it will provide a theoretical basis for revealing the anti-inflammatory mechanism of Linggui Zhugan Decoction in preventing and treating chronic heart failure.