Table 4.

Binding energy and interacting residues of X1–X5 for COX-2 and cPLA₂.

PDB	Compound Code	H-bonding Site Residues	Binding Energy (kcal/mol)	Distance (A)
6COX	X1	Arg120, Tyr355	−9.04	2.9, 3.1
6COX	X2	Gln203, Tyr409	−10.33	2.7, 3.0, 3.2
6COX	X3	Tyr115	−7.75	2.9
6COX	X4	Tyr115	−8.23	2.9, 3.0
6COX	X5	Arg513, Tyr355, Ser353, His90	−9.35	2.7, 2.8, 3.1, 3.4
1CJY	X1	Gly551, Leu552, Lys595	−6.97	3.5, 3.2, 2.6
1CJY	X2	Gly197, Gly198, Ser228, Asp549, Gly551	−11.51	2.5, 2.6, 2.8, 3.0
1CJY	X3	Asp345	−9.13	2.8
1CJY	X4	Asp345, Trp346, Pro559	−9.94	2.9, 3.2, 3.4
1CJY	X5	Asn262, Val407, Asn682, Gly684	−7.15	2.7, 2.8, 3.0, 3.1, 3.5