6533b820fe1ef96bd1279bb6

RESEARCH PRODUCT

New antitumoral acetogenin ‘Guanacone type’ derivatives: Isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone

Nuria DepedroFernando D. SuvireJairo SaezDiego CortesM. Carmen Zafra-poloInmaculada RoyoRicardo D. EnrizJosé R. TormoHéctor A. BaldoniHéctor A. BaldoniNadia ChahbouneIsabel BarrachinaNuria CabedoNoureddine El AouadAlmudena Bermejo

subject

Models MolecularMagnetic Resonance SpectroscopyAcetogeninsStereochemistryLipid BilayersClinical BiochemistryMolecular ConformationRespiratory chainPharmaceutical ScienceBiochemistryChemical synthesisAnnonaElectron TransportLactoneschemistry.chemical_compoundPolyketideCell Line TumorDrug DiscoveryHumansComputer SimulationFuransMolecular BiologyPOPCBilayerOrganic ChemistryHydrogen BondingAntineoplastic Agents PhytogenicSemisynthesisMitochondrial respiratory chainchemistrySeedsAcetogeninPhosphatidylcholinesMolecular MedicineIndicators and ReagentsFatty Alcohols

description

We describe herein the isolation and semisynthesis of four acetogenin derivatives (1-4) as well as their ability to inhibit the mitochondrial respiratory chain and several tumor cell lines. In addition, four nanoseconds (ns) of MD simulation of compound 4, in a fully hydrated POPC bilayer, is reported.

yearjournalcountryeditionlanguage
2007-07-01Bioorganic & Medicinal Chemistry
https://doi.org/10.1016/j.bmc.2007.04.039