Table 2. Summary of the Residues Involved in the Flavonol–mCCL2/hCCL2 Monomer Complexes’ Interactions along with Their K_d Values and Binding Energy Parameters.

protein	ligand	residue involved in docking	Kd values (μM)	binding energy (kcal/mol)	potential (kJ/mol)	avg. Coul-SR electrostatics (kJ/mol)
mCCL2	KP	C11, Y13, S14, T16, E50, C52	26 ± 5	–5.08	–5.682 × 105	–6.250 × 105
hCCL2	KP	C11, Y13, N14, T16, E50, C52	25 ± 5	–5.10	–5.285 × 105	–5.817 × 105
mCCL2	QT	C11, Y13, S14, T16, E50, V51, C52	3.7 ± 0.5	–5.33	–5.609 × 105	–6.170 × 105
hCCL2	QT	C11, Y13, N14, T16, E50, I51, C52	3.6 ± 0.5	–5.28	–5.362 × 105	–5.901 × 105
mCCL2	MT	C11, C12, Y13, S14, F15, T16, E50, V51, C52	0.4 ± 0.02	–6.41	–5.612 × 105	–6.174 × 105
hCCL2	MT	C11, C12, Y13, N14, F15, T16, E50, I51, C52	0.43 ± 0.02	–6.39	–5.326 × 105	–5.858 × 105