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. 2021 Dec 19;12(2):12274–12293. doi: 10.1080/21655979.2021.2006966

Table 3.

Protein   A-ring B-ring C-ring
IL1B Hydrophobic interaction Leu80    
π-sigma interaction     Thr79
hydrogen bonding interaction     Pro78
JUN hydrophobic interaction Val158 and Ile32 Val158, Ile32, Ala53, Val40 Val40, Leu168 and Lys55
hydrogen bonding interaction   Carbonyl B-ring with Leu110 Lys55
MAPK3 hydrophobic interaction     Val56
hydrogen bonding interaction Asp123 and Met125 Lys71  
MMP9 π-π ring stacking effect Tyr248 Phe250 Phe250
hydrogen bonding interaction Tyr248 and Arg249   Gly215 and Lys214
PTGS2 π-cationic interaction His386 His207 His207
hydrogen bonding interaction Asn382 Thr206 Ala202
π-π ring stacking effect     His388
amide-π stacking effect     Ala202
TNF π-π ring stacking effect Tyr119 Tyr119 Tyr119
hydrogen bonding interaction Tyr151 and Ser60   Gln61