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. 2021 Mar 23;15:1299–1313. doi: 10.2147/DDDT.S292826

Table 7.

Interaction with the Amino Acid Residues and Binding Energy Value of the Compounds

Compound No. COX-1 COX-2
Key Amino Acids Binding Energy (kcal/mo1) Key Amino Acids Binding Energy (kcal/mo1)
4 Arg120, Tyr355 −6.4259 Arg120, Tyr355 −6.8730
4-COOH Tyr355, Ser530 −8.3497 Arg120, Tyr355 −7.7722
9 Val349, Ala527, Ser530 –6.7320 Arg120, Tyr355 −6.7810
10 Tyr385, Mt522, Ser530 −6.7974 Tyr385, Mt522 −7.1772
11 Val116, Tyr355, Trp387 −7.0115 Arg120, Ser353, Tyr355, Arg513 −8.5834