Molecular mechanics and dynamics of DNA-furocoumarin complexes: effect of the aromatization of the pyrone ring on the intercalation geometry.
J Photochem Photobiol B
; 6(1-2): 207-20, 1990 Jun.
Article
em En
| MEDLINE
| ID: mdl-2121935
Results of molecular mechanics and dynamics calculations on intercalation complexes of DNA with various furocoumarins (psoralen, angelicin, 7-methylpyrido[3,4-c]psoralen and 7-methylpyrido[4,3-c]psoralen) and their corresponding aromatized derivatives are presented. These calculations were undertaken with the aim to elucidate the roles of the pyrone and pyridine moieties in the interactions which tend to orient the furocoumarins and pyridopsoralens between DNA base pairs. It appears that the intercalation geometries are very similar for the furocoumarins and related aromatized compounds. Therefore the oxygen and nitrogen atoms of the pyrone and pyridine moieties are not important in the orientation of the drug within the oligonucleotide.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Oligodesoxirribonucleotídeos
/
Furocumarinas
/
DNA
/
Substâncias Intercalantes
Idioma:
En
Revista:
J Photochem Photobiol B
Assunto da revista:
BIOLOGIA
Ano de publicação:
1990
Tipo de documento:
Article
País de afiliação:
França