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Synthesis, in silico, and in vivo anti-inflammatory evaluation of 3ß-cinnamoyloxy substituted pregna-4,16-diene-6,20-diones derivatives.
Sanabria-Chanaga, Elkin; Meneses-Ruiz, Dulce María; Puertas-Santamaría, Erick Francisco; Mancha-Meléndez, Fernando Manuel; Bratoeff, Eugene; Loza-Mejía, Marco A; Salazar, Juan Rodrigo.
Afiliação
  • Sanabria-Chanaga E; Departamento de Química, Universidad de Pamplona, Pamplona, Colombia.
  • Meneses-Ruiz DM; Departamento de Farmacia, Facultad de Química, Universidad Nacional Autónoma de México, Ciudad Universitaria, Coyoacán, Ciudad de México, México.
  • Puertas-Santamaría EF; Facultad Mexicana de Medicina, Universidad La Salle-México, Tlalpan, Ciudad de México, México.
  • Mancha-Meléndez FM; Design, Isolation, and Synthesis of Bioactive Molecules Research Group, Facultad de Ciencias Químicas, Universidad La Salle-México, Ciudad de México, México.
  • Bratoeff E; Design, Isolation, and Synthesis of Bioactive Molecules Research Group, Facultad de Ciencias Químicas, Universidad La Salle-México, Ciudad de México, México.
  • Loza-Mejía MA; Departamento de Farmacia, Facultad de Química, Universidad Nacional Autónoma de México, Ciudad Universitaria, Coyoacán, Ciudad de México, México.
  • Salazar JR; Design, Isolation, and Synthesis of Bioactive Molecules Research Group, Facultad de Ciencias Químicas, Universidad La Salle-México, Ciudad de México, México.
J Biomol Struct Dyn ; 40(22): 12184-12193, 2022.
Article em En | MEDLINE | ID: mdl-34468278
Pregnane derivatives have been studied mainly for their 5α-reductase activity. However, the anti-inflammatory activities of such compounds are still poorly explored. In the search for new anti-inflammatory agents, seven new pregnane derivatives 6a-g, with cinnamic acid esters at C-3 were prepared and fully characterized. The anti-inflammatory activity of compounds was assessed in TPA induced mice ear model. From them, compound 6 b was the most active to reduce edema, with an ED50 of 0.017 mg/ear. Also, Molecular Docking and Molecular Dynamics studies were performed to identify a potential molecular target related to the inflammatory process. The in vivo results suggest that 6 b could be a potent anti-inflammatory compound, while in silico studies suggest its interaction with some critical enzymes in the inflammatory response.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Edema / Anti-Inflamatórios Limite: Animals Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Colômbia País de publicação: Reino Unido
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Edema / Anti-Inflamatórios Limite: Animals Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Colômbia País de publicação: Reino Unido