Binding characteristics of synthesized compounds (8a–8g and 9a–9d) and references against COX-1 protein.

Compound	BE	Bonding interaction	Bond length(Å)	Bond angle (°)	Bond type
Celecoxib	−7.4.	Leu 324 CB⋯HN	2.5	91.3	H–don
		Arg 37 CA⋯OS	2.4	103.1	H–acc
8a	−6.3	Gly 536 CZ⋯HO	2.8	130.7	H–don
8b	−8.5	Arg 376 CZ⋯OS	2.2	89.7	H–acc
		Arg 376 CZ⋯OS	2.1	90.3	H–acc
		Arg 374 CB⋯OS	2.4	93.8	H–acc
		Arg 374 CB⋯OC	2.1	99.3	H–acc
8c	−8.7	Arg 376 CZ⋯OS	2.2	110.3	H–acc
		Arg 376 CB⋯OS	2.3	91.8	H–acc
		Arg 374 CB⋯OS	2.1	107.0	H–acc
		Arg 374 CB⋯OH	2.2	121.8	H–acc
8d	−8.0	Arg 376 CA⋯OS	2.3	113.2	H–acc
		Arg 376 CB⋯OS	2.2	100.7	H–acc
		Arg 374 CB⋯OS	2.3	109.3	H–acc
		Arg 374 CZ⋯OH	2.2	121.0	H–acc
8e	−9.0	Arg 376 CZ⋯OS	2.7	88.7	H–acc
		Arg 376 CB⋯OS	2.1	71.0	H–acc
		Arg 374 CB ⋯.OS	2.1	137.7	H–acc
		Arg 374 CZ⋯ON	2.2	118.7	H–acc
8f	−9.4	Arg 376 CZ⋯OS	2.3	120.3	H–acc
		Arg 376 CB⋯OS	2.7	118.7	H–acc
		Arg 374 CB⋯OS	2.14	127.0	H–acc
8g	−8.7	Arg 376 CZ⋯OS	2.6	94.6	H–acc
		Arg 376 CB⋯OS	2.4	80.7	H–acc
		Arg 374 CB⋯OS	2.3	98.1	H–acc
		Arg 374 CZ⋯OC	2.0	97.8	H–acc
9a	−8.7	Arg 374 CB⋯OS	2.5	120.7	H–acc
		Arg 374 CZ⋯OS	2.2	96.3	H–acc
		Arg 374 CB⋯OS	2.1	81.8	H–acc
		Arg 376 CZ⋯ON	2.6	120.1	H–acc
		Arg 376 CB⋯ON	2.3	118.5	H–acc
		Ser 143 CA⋯HO	2.1	91.1	H–don
9b	−6.9	Arg 376 CB⋯OC	2.5	133.1	H–acc
9c	−7.4	Arg 374 CB⋯OC	2.3	91.6	H–acc
9d	−7.0	Arg 376 CZ⋯OC	2.6	93.5	H–acc