Abstract
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....
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Bohm MJ (1991) The computer program LUDI: A new method for the de novo design of enzyme inhibitors. J Comp Aided-Molecular Design 6:61–78
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 31:722–729
Dougherty DA, Stauffer D (1990) Acetylcholine binding by a synthetic receptor: implications for biological recognition. Science 250:1558–1560
Hodges JC, Hamby JM, Blankley JC (1992) Angiotensin II receptor binding inhibitors. Drugs of the Future 17:575–593
Mian S, Bradwell A, Olson A (1991) Structure, function and properties of antibody binding sites. J Mol Biol 217:133–151
Satow Y, Cohen G, Padlan E, Davies D (1986) Phosphocholine binding Fab McPC603. An x-ray diffraction study at 2.7Ǻ. J Mol Biol 190:593–604
Seiler MP, Markstein R, Boelstereli JJ, Walkinshaw MD (1989) Characterisation of dopamine subtypes by comparative structure-activity relationships. Mol Pharmacol 35:643–651
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 253:872–879
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 35:3448–3462
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1994 Springer-Verlag Berlin Heidelberg
About this chapter
Cite this chapter
Benmbarek, A. (1994). Molecular Modeling and Drug Design: Application to Some Peroxisome Proliferator Agents. In: Latruffe, N., Bugaut, M. (eds) Peroxisomes. Springer Laboratory. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-87807-7_11
Download citation
DOI: https://doi.org/10.1007/978-3-642-87807-7_11
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-87809-1
Online ISBN: 978-3-642-87807-7
eBook Packages: Springer Book Archive