Quantum chemical calculation of the (S)-9-(2,3-dihydroxypropyl)adenine molecule.
AUTOR(ES)
Havlas, Z
RESUMO
Quantum chemical calculations of conformational maps of the molecule of a new virostatic agent (S)-9-(2,3-dihydroxypropyl)adenine were performed. The thermodynamically most advantageous conformation I corresponds, for the D-series, to the alpha-ribo configuration, while the following minima, which are close in energy (II,III), correspond to beta-ribo and beta-xylo configurations.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=328085Documentos Relacionados
- Molecular structures of two new anti-HIV nucleoside analogs: 9-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)adenine and 9-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)hypoxanthine.
- Disposition of the Acyclic Nucleoside Phosphonate (S)-9(3-Hydroxy-2-Phosphonylmethoxypropyl)Adenine
- Photophysical properties and quantum chemical studies of poly(2,7-9,9'-dihexylfluorene-dyil)
- Activity of 9-(S)-[3-Hydroxy-2-(Phosphonomethoxy)Propyl]Adenine against Schistosomiasis mansoni in Mice
- Transport of 9-(2-phosphonomethoxyethyl)adenine across plasma membrane of HeLa S3 cells is protein mediated.