Table 1 Candidate ligand and drug information used in this study.

Salvianolic acid C (SAC)

C₂₆H₂₀O₁₀

492.4 g/mol

C1 = CC(= C(C = C1C[C@H](C(= O)O)OC

(= O)/C = C/C2 = C3C = C(OC3 = C(C = C2)

O)C4 = CC(= C(C = C4)O)O)O)O

Mycophenolic acid (MPA)

C₁₇H₂₀O₆

CC1 = C2COC(= O)C2 = C(C(= C1OC)C

/C = C(\C)/CCC(= O)O)O

Aurintricarboxylic acid (ATA)

C₂₂H₁₄O₉

C1 = CC(= C(C = C1C(= C2C = CC(= O)C(=

C2)C(= O)O)C3 = CC(= C(C = C3)O)

C(= O)O)C(= O)O)O