Chapter 3. Theoretical Studies of Antibody Catalysis

  1. Prof. Dr. Ehud Keinan4,5
  1. Dean J. Tantillo1,
  2. Andrew G. Leach2,
  3. Xiyun Zhang3,
  4. K. N. Houk3

Published Online: 13 MAY 2005

DOI: 10.1002/3527603662.ch3

Book Title

Catalytic Antibodies

Catalytic Antibodies

Additional Information

How to Cite

Tantillo, D. J., Leach, A. G., Zhang, X. and Houk, K. N. (2005) Theoretical Studies of Antibody Catalysis, in Catalytic Antibodies (ed E. Keinan), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527603662.ch3

Editor Information

  1. 4

    Department of Chemistry, Technion-Israel Institute of Technology, Technion City, Haifa 32000, Israel

  2. 5

    The Scripps Research Institute, Department of Molecular Biology, and, The Skaggs Institute for Chemical Biology, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA

Author Information

  1. 1

    Department of Chemistry, University of California, Davis, One Shields Ave., Davis, CA 95616, USA

  2. 2

    Astrazeneca Pharmaceuticals, Mereside Alderley Park, Macclesfield SK10 4TG, United Kingdom

  3. 3

    Department of Chemistry and Biochemistry, University of California, Los Angeles, 405 Hilgard Ave., Los Angeles, CA 90095-1569, USA

Publication History

  1. Published Online: 13 MAY 2005
  2. Published Print: 7 OCT 2004

ISBN Information

Print ISBN: 9783527306886

Online ISBN: 9783527603664

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Keywords:

  • catalytic antibodies;
  • theoretical studies of antibody catalysis;
  • hydrolytic antibodies;
  • cationic cyclizations;
  • antibody-catalyzed Diels-Alder and retro-Diels-Alder reactions;
  • other antibody-catalyzed pericyclic reactions;
  • antibody-catalyzed carboxybenzisoxazole decarboxylation

Summary

This chapter contains sections titled:

  • Introduction

  • Questions Subject to Theoretical Elucidation

    • Predicting Antibody Structure from Sequence

    • Predicting Binding Modes and Binding Energies

    • Understanding Antibody Catalysis

    • General Considerations

  • Hydrolytic Antibodies

    • Gas and Solution Phase Hydrolysis of Aryl Esters

    • Hapten Fidelity

    • Theoretical Exploration of Antibody Catalysis

      • 16G3

      • 6D9

      • 43C9

      • CNJ206

      • 48G7

      • 17E8 and 29G11

  • Cationic Cyclizations

    • Antibody Catalysis of Solvolysis

    • Antibody-Catalyzed Hydroxyepoxide Cyclization

  • Antibody-Catalyzed Diels-Alder and retro-Diels-Alder Reactions

    • The Most Efficient endo-Diels-Alderase 1E9

    • endo-Diels-Alderase 39A11 and its Germline Precursor

    • exo-Diels-Alderase 13G5

    • retro-Diels-Alderase 10F11

  • Other Antibody-Catalyzed Pericyclic Reactions

    • Oxy-Cope Rearrangement Catalyzed by Antibody AZ-28

    • 1,3-Dipolar Cycloaddition Catalyzed by Antibody 29G12

    • Chorismate-Prephenate Claisen Rearrangement Catalyzed by Antibody 1F7

  • Antibody-Catalyzed Carboxybenzisoxazole Decarboxylation

  • Summary

  • References

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