Peroxisomes pp 159-168 | Cite as

Molecular Modeling and Drug Design: Application to Some Peroxisome Proliferator Agents

  • A. Benmbarek
Part of the Springer Laboratory book series (SLM)


Every chemist has used CPK or Dreiding models to represent the structure of a molecule. Even if this representation gives an approximated idea on how the molecule is arranged in space, we have no idea on how this representation is stable in terms of intra-molecular interactions. In fact, many properties cannot be represented by such tools, most especially electronic parameters: charges, hydrophobicity, electronic conjugation, etc....


Molecular Modeling Drug Design Carboxylate Moiety Optimal Interaction Practical Session 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    Bohm MJ (1991) The computer program LUDI: A new method for the de novo design of enzyme inhibitors. J Comp Aided-Molecular Design 6:61–78CrossRefGoogle Scholar
  2. 2.
    Desjarlais RL, Sheridan RP, Seibel GL, Dixon JS, Kuntz ID, Venkataraghavan R (1988) Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure. J Med Chem 31:722–729PubMedCrossRefGoogle Scholar
  3. 3.
    Dougherty DA, Stauffer D (1990) Acetylcholine binding by a synthetic receptor: implications for biological recognition. Science 250:1558–1560PubMedCrossRefGoogle Scholar
  4. 4.
    Hodges JC, Hamby JM, Blankley JC (1992) Angiotensin II receptor binding inhibitors. Drugs of the Future 17:575–593Google Scholar
  5. 5.
    Mian S, Bradwell A, Olson A (1991) Structure, function and properties of antibody binding sites. J Mol Biol 217:133–151PubMedCrossRefGoogle Scholar
  6. 6.
    Satow Y, Cohen G, Padlan E, Davies D (1986) Phosphocholine binding Fab McPC603. An x-ray diffraction study at 2.7Ǻ. J Mol Biol 190:593–604PubMedCrossRefGoogle Scholar
  7. 7.
    Seiler MP, Markstein R, Boelstereli JJ, Walkinshaw MD (1989) Characterisation of dopamine subtypes by comparative structure-activity relationships. Mol Pharmacol 35:643–651PubMedGoogle Scholar
  8. 8.
    Sussman JL, Harel M, Frolow F, Oefner O, Goldman A, Toker L, Silman J (1991) Atomic structure of acetylcholinesterase from Torpedo califomica: a prototypic acetylcholine-binding protein. Science 253:872–879PubMedCrossRefGoogle Scholar
  9. 9.
    Trumpp-Kallmeyer S, Hoflack J, Bruinvels A, Hibert M (1992) Modeling of G-protein coupled receptors: Application to dopamine, adrenaline, serotonin, acetylcholine and mammalian opsin receptors. J Med Chem 35:3448–3462PubMedCrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1994

Authors and Affiliations

  • A. Benmbarek

There are no affiliations available

Personalised recommendations