Structure-antioxidant activity relationships of flavonoids isolated from the resinous exudate of Heliotropium sinuatum

Brenda Modak, M. Leonor Contreras, Fernando González-Nilo, René Torres

Resultado de la investigación: Article

42 Citas (Scopus)

Resumen

Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Radical formation energies, ΔH of dehydrogenation and spin densities were calculated using DFT methods (B3LYP/6-31G*). Results show that studied flavonoids can be divided into two sets according to their activity. It has been found that antioxidant activity depends both on substitution pattern of hydroxyl groups of the flavonoid skeleton and the presence of an unsaturation at the C2-C3 bond. A good tendency between ΔH of dehydrogenation and antioxidant activity was established.

Idioma originalEnglish
Páginas (desde-hasta)309-312
Número de páginas4
PublicaciónBioorganic and Medicinal Chemistry Letters
Volumen15
N.º2
DOI
EstadoPublished - 17 ene 2005

Huella dactilar

Heliotropium
Exudates and Transudates
Structure-Activity Relationship
Flavonoids
Antioxidants
Dehydrogenation
Skeleton
Discrete Fourier transforms
Hydroxyl Radical
Substitution reactions

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Organic Chemistry
  • Drug Discovery
  • Pharmaceutical Science

Citar esto

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abstract = "Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Radical formation energies, ΔH of dehydrogenation and spin densities were calculated using DFT methods (B3LYP/6-31G*). Results show that studied flavonoids can be divided into two sets according to their activity. It has been found that antioxidant activity depends both on substitution pattern of hydroxyl groups of the flavonoid skeleton and the presence of an unsaturation at the C2-C3 bond. A good tendency between ΔH of dehydrogenation and antioxidant activity was established.",
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Structure-antioxidant activity relationships of flavonoids isolated from the resinous exudate of Heliotropium sinuatum. / Modak, Brenda; Leonor Contreras, M.; González-Nilo, Fernando; Torres, René.

En: Bioorganic and Medicinal Chemistry Letters, Vol. 15, N.º 2, 17.01.2005, p. 309-312.

Resultado de la investigación: Article

TY - JOUR

T1 - Structure-antioxidant activity relationships of flavonoids isolated from the resinous exudate of Heliotropium sinuatum

AU - Modak, Brenda

AU - Leonor Contreras, M.

AU - González-Nilo, Fernando

AU - Torres, René

PY - 2005/1/17

Y1 - 2005/1/17

N2 - Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Radical formation energies, ΔH of dehydrogenation and spin densities were calculated using DFT methods (B3LYP/6-31G*). Results show that studied flavonoids can be divided into two sets according to their activity. It has been found that antioxidant activity depends both on substitution pattern of hydroxyl groups of the flavonoid skeleton and the presence of an unsaturation at the C2-C3 bond. A good tendency between ΔH of dehydrogenation and antioxidant activity was established.

AB - Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Relationships between the structural characteristics of flavonoids isolated from the resinous exudate of Heliotropium sinuatum and their antioxidant activity were studied. Radical formation energies, ΔH of dehydrogenation and spin densities were calculated using DFT methods (B3LYP/6-31G*). Results show that studied flavonoids can be divided into two sets according to their activity. It has been found that antioxidant activity depends both on substitution pattern of hydroxyl groups of the flavonoid skeleton and the presence of an unsaturation at the C2-C3 bond. A good tendency between ΔH of dehydrogenation and antioxidant activity was established.

KW - Antioxidant activity

KW - Flavonoids

KW - Radical stability

KW - Structure-activity relationships

KW - Theoretical parameters

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DO - 10.1016/j.bmcl.2004.10.081

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JO - Bioorganic and Medicinal Chemistry Letters

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