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Sökning: L773:0570 0833

  • Resultat 1-8 av 8
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  • Davis, Andrew M, et al. (författare)
  • Application and limitations of X-ray crystallographic data in structure-based ligand and drug design.
  • 2003
  • Ingår i: Angew Chem Int Ed Engl. - 0570-0833. ; 42:24, s. 2718-36
  • Forskningsöversikt (populärvet., debatt m.m.)abstract
    • Structure-based design usually focuses upon the optimization of ligand affinity. However, successful drug design also requires the optimization of many other properties. The primary source of structural information for protein-ligand complexes is X-ray crystallography. The uncertainties introduced during the derivation of an atomic model from the experimentally observed electron density data are not always appreciated. Uncertainties in the atomic model can have significant consequences when this model is subsequently used as the basis of manual design, docking, scoring, and virtual screening efforts. Docking and scoring algorithms are currently imperfect. A good correlation between observed and calculated binding affinities is usually only observed only when very large ranges of affinity are considered. Errors in the correlation often exceed the range of affinities commonly encountered during lead optimization. Some structure-based design approaches now involve screening libraries by using technologies based on NMR spectroscopy and X-ray crystallography to discover small polar templates, which are used for further optimization. Such compounds are defined as leadlike and are also sought by more traditional high-throughput screening technologies. Structure-based design and HTS technologies show important complementarity and a degree of convergence.
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  • Kappe, C Oliver, et al. (författare)
  • All the rave in microwaves.
  • 2005
  • Ingår i: Angew Chem Int Ed Engl. - 0570-0833. ; 44:47, s. 7666-9
  • Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)
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  • Kirby, A J, et al. (författare)
  • Gemini surfactants: New synthetic vectors for gene transfection
  • 2003
  • Ingår i: Angewandte Chemie International Edition in English. - : Wiley. - 0570-0833 .- 1433-7851 .- 1521-3773. ; 42:13, s. 1448-1457
  • Forskningsöversikt (refereegranskat)abstract
    • The superior surfactant properties of cationic gemini surfactants are applied to the complex problem of introducing genes into cells. Of almost 250 new compounds tested, of some 20 different structural types, a majority showed very good transfection activity in vitro. The surfactant is shown to bind and compact DNA efficiently, and structural studies and calculations provide a working picture of the lipoplex formed. The lipoplex can penetrate the outer membranes of many cell types, to appear in the cytoplasm encapsulated within endosomes. Escape from the endosome - a key step for transfection - may be controlled by changes in the aggregation behavior of the lipoplex as the pH falls. The evidence suggests that DNA may be released from the lipoplex before entry into the nucleus, where the new gene can be expressed with high efficiency.
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  • Resultat 1-8 av 8

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