Table 7.

Docking details of mycocompounds (L1-L14) against COX-2.

Ligands	Binding energy (Kcalmol−1)	Number of interactions	Nature of interactions	Interaction distance (A0)	Interacting residues
L1	−4.8130	02	pi-H	4.46	Tyr123
			pi-H	3.84	Phe372
L2	−5.7850	03	pi-H	4.29	Asp126
			pi-H	4.43	Asp126
			pi-H	3.84	Ser127
L3	−6.4789	01	H-acceptor	2.91	Arg61
L4	−7.0675	01	H-donor	3.29	Tyr123
L5	−9.4502	03	H-donor	2.80	Thr62
			H-donor	2.79	Ser127
			H-acceptor	2.96	Ser127
L6	−6.8173	03	H-donor	2.96	Asp126
			H-donor	2.81	Tyr123
			H-acceptor	3.14	Ser127
L7	−7.9987	03	H-donor	2.87	Ile125
			H-donor	2.72	Lys469
			H-acceptor	3.16	Ser127
L8	−6.6080	02	H-acceptor	2.98	Ser472
			H-acceptor	3.02	Arg44
L9	−5.8384	02	H-donor	3.03	Asn43
			H-donor	2.95	Lys469
L10	−5.1519	02	H-donor	2.98	Asn43
			H-donor	3.31	Lys469
L11	−4.4126	03	H-acceptor	3.00	Arg61
			H-acceptor	3.17	Arg61
			Ionic	3.39	Arg44
L12	−5.0901	02	H-donor	2.90	Tyr123
			H-acceptor	3.02	Ser127
L13	−6.0370	02	H-donor	3.21	Arg44
			H-acceptor	3.17	Ser127
L14	−6.4842	01	H-acceptor	3.08	Arg61

L1 = Quinoline, L2 = N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)acetamide, L3 = 5,8-tetradecadienal, L4 = Cetrimonium, L5 = Kurilensoside F, L6 = 3β,15β,17α-trihydroxy-pregnenone, L7 = 5S-HETE di-endoperoxide, L8 = Obtusin, L9 = 4,4′-Diaminostilbene, L10 = Amobarbital, L11 = 4-(Trimethylammonio)but-2-enoate, L12 = Fraxetin, L13 = Maculosin, L14 = Onchidal