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. 2023 Jul 24;16(7):1045. doi: 10.3390/ph16071045

Table 1.

Docking results of oxadiazole derivatives Ox-6a-f against COX-2 and COX-1 using AutoDock.

Compounds Binding Energy (kcal/mol) (COX-2)
(PDBID 5KIR)
Binding Energy (kcal/mol) (COX-1)
(PDBID 6Y3C)
Binding Energy (kcal/mol) (NOX)
(PDBID 7U8G)
Ox-6a −7.10 −6.30 −7.10
Ox-6b −6.40 −6.10 −6.70
Ox-6c −6.60 −6.20 −7.40
Ox-6d −7.30 −6.70 −7.90
Ox-6e −6.90 −6.40 −7.50
Ox-6f −7.70 −6.80 −8.10