Table 4.
Interactions observed in docking studies involving antinociceptive activity.
| Ligand | Molecular target | Interacting amino acids | Reference |
|---|---|---|---|
| Citronellal | GluR2-S1S2 | Arg96, Ser142 e Thr143. | Santos et al., 2016 |
| α-Terpineol | Nitric Oxide Synthase | Thr324, Trp325 e Ile327. | Gouveia et al., 2018. |
| (−)-α-bisabolol | TRPV1 | Ala680, Gly683, Asn687. | Teixeira et al., 2017. |
| (−)-α-bisabolol | TRPV1 | Ile695, Ser972, Leu973 and Lys969. | Melo et al., 2017 |
| p-Cymene | CaV1, CaV2.1, CaV2.2 and CaV2.3 | Glu84, Glu87, Ala88, Val91, Met144. | Santos et al., 2019 |
| α-Terpineol | 5-HT receptor Delta receptor Kappa receptor MU receptor |
Asp129 and Cys133. Asp128. Leu67 and Val63. Asp147. |
Oliveira et al., 2016 |
| (−)-α-bisabolol | 5-HT3 and M2 receptors. |
Tyr64, Arg65, Thr154, Trp156 and Glu209. Asp103, Tyr104, Ala194 and Tyr403. |
Leite et al., 2019. |
| Camphor, transcarophyllene and bicyclogermacrene | Alpha adrenergic, µ Opioid, and 5-HT. | Arg14, Tyr15, Ile18 and Thr19. Asp135, Val136, Thr140, Phe340 and Phe341. Gln124, Tyr148, Val236, His297, Trp318. |
Siqueira-Lima et al., 2017. |
| Eugenol | COX-2 | Val116, Arg120, Val349, Leu352, Tyr355, Phe518, Met522. | Sumiwi et al., 2015. |
| b-FNA, Germacrene D, Caryophyllene oxide, Linalool and β-caryophyllene |
Opioid and serotonin receptors. | Thr134 and Val201. | Quintans-Junior et al., 2018. |
| 3-(5-substituted-1,3,4-oxadiazol-2-yl)-N′-[2-oxo-1,2-dihydro-3H-indol-3-ylidene]propane hydrazides derivatives | COX-2 | Pro127, Tyr373, Gly536, Gln374, Arg376 and Ser541. | Kerzare et al., 2016. |
| 1,8-Cineole, Caryophyllene oxide, p-Cymene, Spathulenol, | Muscarinic receptors and GABAA. | Not described. | de Oliveira Júnior et al., 2018. |
| 10-benzoiloxi-6,8,9-isobutirato de tri-hidroxi-timol | COX-2 | Not described. | García et al., 2011. |
| trans-sabinol and trans-sabinyl acetate | AChE | Ser200, Glu327, His440, Phe330 and Trp 84. | Radulović et al, 2015. |
| B-cyclodextrin complexed with Farnesol | β-CD complex | Not described. | Silva et al., 2017. |
The table summarizes the ligands and molecular targets used in molecular docking research, as well as the residues that showed interaction with the compounds.