TABLE 3.

The docking results of the potential ligands in CIFE against COX-2 and HAase.

Peak no.	COX-2			HAase
	BE (Kcal/mol)	Ki (µM)	H-Bonds	BE (Kcal/mol)	Ki (µM)	H-Bonds
1	−6.97	7.82	Met522, Ala527	−6.81	10.13	Arg47, Ser303, Ser304, Asp305
2	−7.34	3.58	Pro84, Ser119, Arg120, Glu524	−7.15	5.74	Asp111, Glu113, Tyr184
3	−7.68	2.35	Lys83, Tyr122, Tyr355, Glu524	−6.43	19.46	Tyr55, Glu113, Gln271, Arg274, Trp301
4	−6.95	8.06	Lys83, Ser119, Arg120, Tyr355, Glu524	−5.86	50.57	Asp56, Asp111, Glu113, Tyr184, Ser304
5	−5.75	60.87	Val523	−5.77	59.09	Asp56, Arg74, Gln98, Asp111, Glu113
6	−6.64	13.56	Lys83, Pro84, Pro86, Tyr115, Tyr122	−5.34	121.53	Glu113, Ser304
7	−6.32	23.13	Lys83, Ser119, Arg120, Glu524	−5.88	49.05	Asp111, Glu113, Tyr184
8	−7.98	1.42	Pro86, Tyr115, Ser119, Arg120, Tyr355, Phe470, Arg513, Glu524	−6.37	21.32	Tyr55, Asp111, Glu113, Tyr184, Gly302, Ser304
9	−7.63	2.55	Lys83, Tyr115, Thr118, Tyr122, Tyr355, Glu524	−6.69	12.40	Tyr55, Gly58, Gly302, Ser304
10	−7.76	2.05	Lys83, Pro84, Phe470, Ser471, Glu524	−6.35	22.28	Tyr55, Tyr227, Asp111, Arg274, Ser304, Asp305
11	−6.60	14.48	Tyr115, Arg120, Arg513, Glu524	−5.25	142.28	Arg274, Ser303, Asp305
12	−8.29	0.83	Ser119, Tyr355, Glu524	−5.92	46.06	Asp111, Tyr301, Gly302, Ser303
13	−5.11	81.06	Arg120, Tyr355, Met522, Ser530	−5.15	168.0	Glu113, Tyr184, Ser304
Asp	−5.82	53.86	Arg120, Tyr122
Indo	−9.18	0.19	Val116, Arg120
AA				−6.1	33.23	Tyr55, Asp111, Glu113, Tyr184

BE, binding energy; H-bond, hydrogen bond; Asp, aspirin; Indo, indomethacin; AA, ascorbic acid; HAase, hyaluronidase; Ki, inhibition constant; Ala, Alanine; Arg, Arginine; Asp, Aspartic acid; Gln, Glutarnine; Glu, Glutamic acid; Lys, Lysine; Met, Methionine; Phe, Phenylalanine, Pro, Proline; Ser, Serine; Thr, Threonine; Tyr, Tyrosine; Val, Valine.