Integrating Network Pharmacology, Molecular Docking, and Experimental Validation to Investigate the Mechanism of (-)-Guaiol Against Lung Adenocarcinoma

Yaoying Zeng; Yanbin Pan; Bo Zhang; Yingbin Luo; Jianhui Tian; Yuli Wang; Xudong Ju; Jianchun Wu; Yan Li

doi:10.12659/MSM.937131

25 July 2022 : Database Analysis

Integrating Network Pharmacology, Molecular Docking, and Experimental Validation to Investigate the Mechanism of (-)-Guaiol Against Lung Adenocarcinoma

Yaoying Zeng^1E, Yanbin Pan^1B, Bo Zhang^1C, Yingbin Luo^1D, Jianhui Tian^1AF, Yuli Wang^1CD, Xudong Ju^2BF, Jianchun Wu^1A*, Yan Li^1A

DOI: 10.12659/MSM.937131

Med Sci Monit 2022; 28:e937131

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Figure 7 Molecular docking diagrams of (−)-Guaiol with (A) CDK2, (B) EGFR, (C) HSP90AA1, (D) HSP90AB1, and (E) FN1. (F) The binding affinity for the 5 targets docked into the (−)-Guaiol crystal structure.

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Integrating Network Pharmacology, Molecular Docking, and Experimental Validation to Investigate the Mechanism of (-)-Guaiol Against Lung Adenocarcinoma

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