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Synthesis, Anti-HIV Activity Studies, and in silico Rationalization of Cyclobutane-Fused Nucleosides

Autor
Figueras, A.; Miralles, R.; Flores, R.; Rustullet, A.; Busqué, F.; Figueredo, M.; Font, J.; Alibes, R.; Marechal, J.D.
Tipus d'activitat
Article en revista
Revista
Chemmedchem
Data de publicació
2012-06
Volum
7
Número
6
Pàgina inicial
1044
Pàgina final
1056
DOI
https://doi.org/10.1002/cmdc.201200059 Obrir en finestra nova
Projecte finançador
2009SGR68
CTQ2007-60613/BQU
CTQ2008-06866-C02-01
CTQ2010-15380/BQU
URL
http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=1&SID=2BIQshHmea5J19Im2kY&page=1&doc=1 Obrir en finestra nova
Resum
The present work describes some recent approaches to novel 3-oxabicyclo[3.2.0]heptane-type nucleosides structurally similar to the potent anti-HIV agent stavudine (d4T). To gain knowledge at the molecular level relevant for further synthetic designs, the lack of activity of these compounds was investigated by computational approaches accounting for three main physiological requirements of anti-HIV nucleosides: their drug-likeness, their activation process, and their subsequent interaction with H...
Paraules clau
ANALOGS, ANTIVIRAL ACTIVITY, BINDING-AFFINITY, BIOLOGICAL EVALUATION, CARBONYL-COMPOUNDS, FLUORINATED NUCLEOSIDES, HIV-1, HUMAN-IMMUNODEFICIENCY-VIRUS, PURINE NUCLEOSIDES, REVERSE-TRANSCRIPTASE, STEREOSELECTIVE-SYNTHESIS, antiviral agents, carbocycles, molecular modeling, nucleosides

Participants

  • Figueras, Antoni  (autor)
  • Miralles Lluma, Rosa  (autor)
  • Flores, Ramon  (autor)
  • Rustullet, Albert  (autor)
  • Busqué Sanchez, Felix  (autor)
  • Figueredo, Marta  (autor)
  • Font Cierco, Josep  (autor)
  • Alibes, Ramon  (autor)
  • Marechal, Jean-Didier  (autor)