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Identification of potent EGFR inhibitors from TCM Database@Taiwan.

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Academic year: 2017

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Figure 1. Scaffolds of the control and TCM compounds. (A) Iressa, (B) 2-O-Caffeoyl tartaric acid, (C) Emetine, (D) Rosmaricine, and (E) 2-O- 2-O-Feruloyl tartaric acid.
Figure 2. Docking pose of different compounds in EGFR using LigandFit. (A) Iressa, (B) 2-O-Caffeoyl tartaric acid, (C) Emetine, (D) Rosmaricine, and (E) 2-O-Feruloyl tartaric acid
Table 2. CoMFA and CoMSIA models as a factor of various fractions and the corresponding validation values.
Figure 4. Correlation of observed and predicted activity (pIC 50 ) using 3D-QSAR models
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