Table 4.
Interacting residues of pathway proteins with Caryophyllene
| Organism | Proteins | Binding Affinity (kcal/mol) | Interaction | |
|---|---|---|---|---|
| H/Alkyl/Covalent bonds | Van der wales bond | |||
| Human | IKB-α | -4.9 | Ile 83, Leu 110, Leu 117 | Asp 73, Asp 75, Leu 80, Gln 112, Thr 121 |
| JNK | -7.2 | Arg 72, Leu 76, Leu 77, Ile 86, Ile 147 | Glu 73, His 149, Leu 168, Asp 169 | |
| p50 | -6.0 | Lys 92, Ile 94, Tyr 163, Phe 217 | Gly 162, Ala 178, Gly 182, Ser 224, Phe 225, Thr 226 | |
| p65 | -6.1 | Lys 37, Val 121, Ala 129 | Glu 89, Gln 119, Cys 120, Lys 122, Asp 125, Gln 128 | |
| p38 | -7.1 | Val 38, Ala 51, LyS 53, Leu 75, Ile 84, Leu 104, Leu 167, Leu 171 | Glu 71, Thr 106, Asp 168, Phe 169 | |
| Mice | IKB-α | -4.9 | Met 91, Ile 94, Ala 129, Lys 132, Ala 133 | Gly 95, Lys 98 |
| JNK | -7.5 | Ile 32, Val 40, Ala 53, Lys 55, Met 108, Met 111, Val 158, Leu 168 | Gly 33, Gly 35, Leu 110 | |
| p50 | -6.0 | Ile 94, Val 120, Tyr 163, Arg 161, Phe 217 | Lys 92, Thr 122, Glu 157, Gly 162 | |
| p65 | -5.4 | Lys 37, Val 121, Lys 122 | Tyr 36, Glu 89, Gln 119, Cys 120, Asp 125, Gln 128 | |
| p38 | -7.2 | Lys 53, Ala 51, Ile 84, Met 109, Leu 167 | Tyr 35, Leu 75, Leu 104, Thr 106, His 107, Leu 108, Asp 168 | |