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Mini-Reviews in Medicinal Chemistry

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ISSN (Print): 1389-5575
ISSN (Online): 1875-5607

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Mini-Review Article

An In Silico Approach to Exploring the Antinociceptive Biological Activities of Linalool and its Metabolites

Author(s): Pablo Rayff da Silva, Natalia Diniz Nunes Pazos, Jéssica Cabral de Andrade, Natália Ferreira de Sousa, Hugo Fernandes Oliveira Pires, Jaislânia Lucena de Figueiredo Lima, Arthur Lins Dias, Mirian Graciela da Silva Stiebbe Salvadori, Adriana Maria Fernandes de Oliveira Golzio, Ricardo Dias de Castro, Marcus T. Scotti, Vaishali M. Patil, Cícero Francisco Bezerra Felipe, Reinaldo Nóbrega de Almeida and Luciana Scotti*

Volume 24, Issue 17, 2024

Published on: 15 January, 2024

Page: [1556 - 1574] Pages: 19

DOI: 10.2174/0113895575261945231122062659

Price: $65

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Abstract

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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