Research Article
Exploring Cinnamic Acids as Potent Antimetastatic Agents for Cancer Therapy: Molecular Docking and Dynamic Simulation against MMP2
Table 5
Predicted ADME for cinnamic acids in this study.
| Ligand name | GI abs | BBB permeant | P-gp substrate | CYP1A2 inhibitor | CYP2C19 inhibitor | CYP2C9 inhibitor | CYP2D6 inhibitor | CYP3A4 inhibitor |
| Cynarin | Low | No | Yes | No | No | No | No | No | Rosmarinic acid | Low | No | No | No | No | No | No | No | Chlorogenic acid | Low | No | No | No | No | No | No | No | Caffeic acid 3-glucoside | Low | No | No | No | No | No | No | No | Caffeic acid phenethyl ester (phenethyl caffeate) | High | Yes | No | Yes | No | Yes | No | No | Cinnamyl caffeate | High | Yes | No | Yes | No | Yes | No | No | Benzyl caffeate | High | Yes | No | No | No | No | No | No | Roscovitine | High | No | Yes | Yes | No | No | Yes | Yes | Artepillin C | High | Yes | No | No | Yes | Yes | No | No | Caffeic acid | High | No | No | No | No | No | No | No | o-Coumaric acid | High | Yes | No | No | No | No | No | No | Sinapinic acid | High | No | No | No | No | No | No | No | Methyl caffeate | High | Yes | No | No | No | No | No | No | Ferulic acid | High | Yes | No | No | No | No | No | No | p-Coumaric acid | High | Yes | No | No | No | No | No | No | Drupanin | High | Yes | No | No | No | No | No | No | Cinnamic acid | High | Yes | No | No | No | No | No | No | N-p-coumaroyltyramine | High | Yes | No | No | No | No | Yes | Yes | 2-Methylcinnamic acid | High | Yes | No | No | No | No | Yes | Yes |
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GI, gastrointestinal; abs, absorption; BBB, blood–brain barrier; P-gp, P-glycoprotein; CYP, cytochrome p-450.
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