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. 2025 May 24;16:904. doi: 10.1007/s12672-025-02619-8

Table 2.

The binding energy of compound and core targets (kcal/mol)

Target Target Compound Affinity
(PDB ID) (kcal/mol)
EGFR 6LUD Ferulic acid  − 5.8
Caffeic Acid  − 5.9
Paclitaxel  − 9.2
Carboplatin  − 4.8
Carboplatin Paclitaxel  − 9.2
TP53 4RG2 Ferulic acid  − 7.2
Caffeic Acid  − 6.9
Paclitaxel  − 7.2
Carboplatin  − 5.6
Carboplatin Paclitaxel  − 7.9
CTNNB1 7AFW Ferulic acid  − 5.2
Caffeic Acid  − 5.4
Paclitaxel  − 7.4
Carboplatin  − 4.9
Carboplatin Paclitaxel  − 7.4
CCND1 2W96 Ferulic acid  − 6.4
Caffeic Acid  − 6.2
Paclitaxel  − 8.4
Carboplatin  − 5.1
Carboplatin Paclitaxel  − 8.6
HRAS 4XRV Ferulic acid  − 6.5
Caffeic Acid  − 6.7
Paclitaxel  − 8.4
Carboplatin  − 6.0
Carboplatin Paclitaxel  − 8.4