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Biological and Molecular Docking Evaluation of a Benzylisothiocyanate Semisynthetic Derivative From Moringa oleifera in a Pre-clinical Study of Temporomandibular Joint Pain

Silveira, Felipe Dantas ; Gomes, Francisco Isaac Fernandes ; do Val, Danielle Rocha ; Freitas, Hermany Capistrano ; de Assis, Ellen Lima ; de Almeida, Diana Kelly Castro ; Braz, Helyson Lucas Bezerra ; Barbosa, Francisco Geraldo ; Mafezoli, Jair ; da Silva, Marcos Reinaldo ; Jorge, Roberta Jeane Bezerra ; Clemente-Napimoga, Juliana Trindade ; Costa, Deiziane Viana da Silva ; Brito, Gerly Anne de Castro ; Pinto, Vicente de Paulo Teixeira ; Cristino-Filho, Gerardo ; Bezerra, Mirna Marques ; Chaves, Hellíada Vasconcelos

Frontiers in neuroscience, 2022-04, Vol.16, p.742239-742239 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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  • Título:
    Biological and Molecular Docking Evaluation of a Benzylisothiocyanate Semisynthetic Derivative From Moringa oleifera in a Pre-clinical Study of Temporomandibular Joint Pain
  • Autor: Silveira, Felipe Dantas ; Gomes, Francisco Isaac Fernandes ; do Val, Danielle Rocha ; Freitas, Hermany Capistrano ; de Assis, Ellen Lima ; de Almeida, Diana Kelly Castro ; Braz, Helyson Lucas Bezerra ; Barbosa, Francisco Geraldo ; Mafezoli, Jair ; da Silva, Marcos Reinaldo ; Jorge, Roberta Jeane Bezerra ; Clemente-Napimoga, Juliana Trindade ; Costa, Deiziane Viana da Silva ; Brito, Gerly Anne de Castro ; Pinto, Vicente de Paulo Teixeira ; Cristino-Filho, Gerardo ; Bezerra, Mirna Marques ; Chaves, Hellíada Vasconcelos
  • Assuntos: formalin ; Moringa oleifera ; Neuroscience ; nociception ; opioid receptors ; temporomandibular joint
  • É parte de: Frontiers in neuroscience, 2022-04, Vol.16, p.742239-742239
  • Notas: ObjectType-Article-1
    SourceType-Scholarly Journals-1
    ObjectType-Feature-2
    content type line 23
    Reviewed by: David Andrew Reed, University of Illinois at Chicago, United States; Bambang Purwanto, Airlangga University, Indonesia; Phatu William Mashela, University of Limpopo, South Africa; Shahbaz Khan, National Agricultural Research Center, Pakistan
    This article was submitted to Neuropharmacology, a section of the journal Frontiers in Neuroscience
    Edited by: Senthil S. Gounder, Johns Hopkins Medicine, United States
  • Descrição: possesses multiple biological effects and the 4-[(4'- -acetyl-α-L- rhamnosyloxy) benzyl] isothiocyanate accounts for them. Based on the original isothiocyanate molecule we obtained a semisynthetic derivative, named 4-[(2',3',4'- -triacetyl-α-L-rhamnosyloxy) -benzyl] hydrazine carbothioamide (MC-H) which was safe and effective in a temporomandibular joint (TMJ) inflammatory hypernociception in rats. Therefore, considering that there is still a gap in the knowledge concerning the mechanisms of action through which the MC-H effects are mediated, this study aimed to investigate the involvement of the adhesion molecules (ICAM-1, CD55), the pathways heme oxygenase-1 (HO-1) and NO/cGMP/PKG/K , and the central opioid receptors in the efficacy of the MC-H in a pre-clinical study of TMJ pain. Molecular docking studies were performed to test the binding performance of MC-H against the ten targets of interest (ICAM-1, CD55, HO-1, iNOS, soluble cGMP, cGMP-dependent protein kinase (PKG), K channel, mu (μ), kappa (κ), and delta (δ) opioid receptors). In studies, male rats were treated with MC-H 1 μg/kg before TMJ formalin injection and nociception was evaluated. Periarticular tissues were removed to assess ICAM-1 and CD55 protein levels by Western blotting. To investigate the role of HO-1 and NO/cGMP/PKG/K pathways, the inhibitors ZnPP-IX, aminoguanidine, ODQ, KT5823, or glibenclamide were used. To study the involvement of opioid receptors, rats were pre-treated (15 min) with an intrathecal injection of non-selective inhibitor naloxone or with CTOP, naltrindole, or norbinaltorphimine. All interactions presented acceptable binding energy values (below -6.0 kcal/mol) which suggest MC-H might strongly bind to its molecular targets. MC-H reduced the protein levels of ICAM-1 and CD55 in periarticular tissues. ZnPP-IX, naloxone, CTOP, and naltrindole reversed the antinociceptive effect of MC-H. MC-H demonstrated antinociceptive and anti-inflammatory effects peripherally by the activation of the HO-1 pathway, as well as through inhibition of the protein levels of adhesion molecules, and centrally by μ and δ opioid receptors.
  • Editor: Switzerland: Frontiers Media S.A
  • Idioma: Inglês
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