Table 3.
Information ethnobotanical, phytochemical, molecular, pharmacological, and docking programs used in silico studies involving the antinociceptive activity isolated from essential oils.
| Phytochemical | Molecular target | Chemical marker | Route of administration | Animal(s) species | Antinociceptive test | Software | Results | Country | Ref |
|---|---|---|---|---|---|---|---|---|---|
| α-Terpineol | Nitric Oxide Synthase enzyme | TP, amino guanidine, dexamethasone, Nitro- L-arginine methyl ester (L-NAME) |
Subcutaneous | Male Swiss | Mechanical hyperalgesia was assessed by means of digital von Frey | Molegro Virtual Docker v. 6.0.1. |
Antinociceptive effect of TP probably occurs via mechanisms related to modulation of oxidative stress, with maintenance of endogenous antioxidant substances and reduction of iNOS levels. |
Brazil | Gouveia et al., 2018. |
| 3-(5-substituted-1,3,4-oxadiazol-2-yl)-N′-[2-oxo-1,2-dihydro-3H-indol-3-ylidene]propane hydrazides | COX-2 | indomethacin | Po | Albino Wistar mice | Hot plate | Vlife MDS. | Antinociceptive effect | India | Kerzare et al., 2016 |
| β-cyclodextrin (CT-βCD) complexed with citronellal (CT) |
GluR2-S1S2 | 1FTJ protein complexed with glutamate | Po | Swiss mice | Digital von Frey Grip strength meter |
AutoDock Vina. | CT-βCD has a greater analgesic effect than the free form (CT alone) | Brazil | Santos et al., 2016 |
| (−)-α-bisabolol | TRPV1 | – | Intraocular | Swiss mice | Hypertonic saline-induced corneal nociception | Hex Protein Docking (HEX) | Nanoencapsulated BISA is topically active—attenuates 5 M NaCl-induced corneal nociception | Brazil | Teixeira et al., 2017 |
| (−)-α-bisabolol | TRPV1 | – | Po and topical | Adult male Swiss albino mice and adult male Wistar rats | Orofacial formalin test Orofacial cinnamaldehyde test Temporomandibular joint formalin test |
Hex Protein Docking (HEX) | The study confirmed the anti-nociceptive effect of BISA on orofacial pain. The effect may in part be due to TRPA1 antagonism | Brazil | Melo et al., 2017 |
| B-cyclodextrin complexed with farnesol | β-CD complex | – | Ip | Male Swiss mice | Formalin, Orofacial capsaicin, glutamate | AutoDock 4.2 software in the PyRx 0.9. | Farnesol complexed with β-CD presented best antinociceptive activity, probably via 5-HT3 receptor | Brazil | (Silva et al., 2017). |
| p-Cymene | CaV1, CaV2.1, CaV2.2 and CaV2.3 | p-cymene, nicardipine, ω-agatoxin IVA, ω-conotoxin GVIA, and N-Triazole Oxindole | Subcutaneous | Male Albino Wistar mice | Digital von Frey Grip strength meter |
Molegro Virtual Docker | p-Cymene was able to reduce calcium current density | Brazil | Santos et al., 2019 |
| α-terpineol | 5-HT receptor Delta receptor Kappa receptor MU receptor |
– | Ip | Male Swiss mice | Mechanical hyperalgesia induced by acid saline Formalin-induced nociception test |
Molegro Virtual Docker 6.0. | β-CD improves the anti-hyperalgesic effect of α-TPN; α-TPN-βCD enhances analgesic profile producing a longer-lasting analgesic profile when compared to α-TPN alone; Docking study demonstrated that anti-hyperalgesic effect produced by α-TPN-βCD implies opioid and serotoninergic receptors | Brazil | Oliveira et al., 2016 |
The table summarizes the main results obtained in research where isolated molecules of essential oils from natural products were used to test for possible antinociceptive activity.