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https://hdl.handle.net/10316/113974
Título: | Synthesis of Carvone Derivatives and In Silico and In Vitro Screening of Anti-Inflammatory Activity in Murine Macrophages | Autor: | Moço, Gabriela Sousa, Cátia Capitão, Ana MacKinnon, Stephen Scott Leitão, Alcino Jorge Mendes, Alexandrina F. |
Palavras-chave: | chronic inflammation; carvone; chemical synthesis; anti-inflammatory activity; 8- and/or 9-substituted carvone derivatives | Data: | 23-Jan-2023 | Editora: | MDPI | Projeto: | POCI-01-0145-FEDER-028424 (CARTILFACTORY) UIDB/04539/2020 UIDP/04539/2020 LA/P/0058/2020 |
Título da revista, periódico, livro ou evento: | International Journal of Molecular Sciences | Volume: | 24 | Número: | 3 | Resumo: | The chemical modification of natural compounds is a promising strategy to improve their frequently poor bioavailability and low potency. This study aimed at synthesizing chemical derivatives of carvone, a natural monoterpene with anti-inflammatory properties, which we recently identified, and evaluating their potential anti-inflammatory activity. Fourteen chemical derivatives of carvone were synthesized, purified and their chemical structures confirmed. Noncytotoxic concentrations of the test compounds were selected based on the resazurin reduction assay. Among the tested compounds, four significantly reduced the lipopolysaccharides-induced protein levels of the inducible isoform of the nitric oxide synthase and nitric oxide production and showed a dual effect on pro-IL-1 protein levels in the Raw 264.7 cell line. The Ligand Express drug discovery platform was used to predict the targets of the test compounds, and an enrichment analysis was performed to group the different biological processes and molecular and cellular functions of the tested compounds. Moreover, Ligand Express also predicted that all chemicals evaluated have intestinal and blood-brain barrier permeability, do not inhibit P-gp and do not interact with major receptors. Although presenting anti-inflammatory and some advantageous ADME properties, the tested compounds still have low potency and specificity but may provide novel structures the further chemical modification of which may yield more promising drugs. | URI: | https://hdl.handle.net/10316/113974 | ISSN: | 1422-0067 | DOI: | 10.3390/ijms24032263 | Direitos: | openAccess |
Aparece nas coleções: | IIIUC - Artigos em Revistas Internacionais I&D CIBB - Artigos em Revistas Internacionais I&D CNC - Artigos em Revistas Internacionais FFUC- Artigos em Revistas Internacionais |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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Synthesis-of-Carvone-Derivatives-and-In-Silico-and-In-Vitro-Screening-of-AntiInflammatory-Activity-in-Murine-MacrophagesInternational-Journal-of-Molecular-Sciences.pdf | 7.29 MB | Adobe PDF | Ver/Abrir |
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