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

GI, gastrointestinal; abs, absorption; BBB, blood–brain barrier; P-gp, P-glycoprotein; CYP, cytochrome p-450.