An In Silico Approach to Exploring the Antinociceptive Biological Activities of Linalool and its Metabolites
Copyright© Bentham Science Publishers; For any queries, please email at epubbenthamscience.net..
Pain is characterized by the unpleasant sensory and emotional sensation associated with actual or potential tissue damage, whereas nociception refers to the mechanism by which noxious stimuli are transmitted from the periphery to the CNS. The main drugs used to treat pain are nonsteroidal anti-inflammatory drugs (NSAIDs) and opioid analgesics, which have side effects that limit their use. Therefore, in the search for new drugs with potential antinociceptive effects, essential oils have been studied, whose constituents (monoterpenes) are emerging as a new therapeutic possibility. Among them, linalool and its metabolites stand out. The present study aims to investigate the antinociceptive potential of linalool and its metabolites through a screening using an in silico approach. Molecular docking was used to evaluate possible interactions with important targets involved in antinociceptive activity, such as α2-adrenergic, GABAergic, muscarinic, opioid, adenosinergic, transient potential, and glutamatergic receptors. The compounds in the investigated series obtained negative energies for all enzymes, representing satisfactory interactions with the targets and highlighting the multi-target potential of the L4 metabolite. Linalool and its metabolites have a high likelihood of modulatory activity against the targets involved in nociception and are potential candidates for future drugs.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - year:2024 |
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| Enthalten in: |
Mini reviews in medicinal chemistry - (2024) vom: 15. Jan. |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
da Silva, Pablo Rayff [VerfasserIn] |
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| Links: |
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| Themen: |
Essential oils |
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| Anmerkungen: |
Date Revised 20.01.2024 published: Print-Electronic Citation Status Publisher |
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| doi: |
10.2174/0113895575261945231122062659 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM367344416 |
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| 520 | |a Pain is characterized by the unpleasant sensory and emotional sensation associated with actual or potential tissue damage, whereas nociception refers to the mechanism by which noxious stimuli are transmitted from the periphery to the CNS. The main drugs used to treat pain are nonsteroidal anti-inflammatory drugs (NSAIDs) and opioid analgesics, which have side effects that limit their use. Therefore, in the search for new drugs with potential antinociceptive effects, essential oils have been studied, whose constituents (monoterpenes) are emerging as a new therapeutic possibility. Among them, linalool and its metabolites stand out. The present study aims to investigate the antinociceptive potential of linalool and its metabolites through a screening using an in silico approach. Molecular docking was used to evaluate possible interactions with important targets involved in antinociceptive activity, such as α2-adrenergic, GABAergic, muscarinic, opioid, adenosinergic, transient potential, and glutamatergic receptors. The compounds in the investigated series obtained negative energies for all enzymes, representing satisfactory interactions with the targets and highlighting the multi-target potential of the L4 metabolite. Linalool and its metabolites have a high likelihood of modulatory activity against the targets involved in nociception and are potential candidates for future drugs | ||
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| 700 | 1 | |a Nunes Pazos, Natalia Diniz |e verfasserin |4 aut | |
| 700 | 1 | |a de Andrade, Jéssica Cabral |e verfasserin |4 aut | |
| 700 | 1 | |a de Sousa, Natália Ferreira |e verfasserin |4 aut | |
| 700 | 1 | |a Oliveira Pires, Hugo Fernandes |e verfasserin |4 aut | |
| 700 | 1 | |a de Figueiredo Lima, Jaislânia Lucena |e verfasserin |4 aut | |
| 700 | 1 | |a Dias, Arthur Lins |e verfasserin |4 aut | |
| 700 | 1 | |a da Silva Stiebbe Salvadori, Mirian Graciela |e verfasserin |4 aut | |
| 700 | 1 | |a de Oliveira Golzio, Adriana Maria Fernandes |e verfasserin |4 aut | |
| 700 | 1 | |a de Castro, Ricardo Dias |e verfasserin |4 aut | |
| 700 | 1 | |a Scotti, Marcus T |e verfasserin |4 aut | |
| 700 | 1 | |a Patil, Vaishali M |e verfasserin |4 aut | |
| 700 | 1 | |a Bezerra Felipe, Cícero Francisco |e verfasserin |4 aut | |
| 700 | 1 | |a de Almeida, Reinaldo Nóbrega |e verfasserin |4 aut | |
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