Computer-Aided Rational Design of Catalytic Antibodies: The 1F7 Case

Computer-Aided Rational Design of Catalytic Antibodies: The 1F7 Case

Thinking it through: Details of the transition‐state structures of the chorismate to prephenate rearrangement in the active site of the 1F7 (N33S) mutant were obtained by computer‐aided rational design. This method may be used to determine whether antibody scaffolds are evolutionary dead ends or if...

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Veröffentlicht in:Angewandte Chemie International Edition 2007-01, Vol.46 (1-2), p.286-290
Hauptverfasser: Martí, S., Andrés, J., Silla, E., Moliner, V., Tuñón, I., Bertrán, J.
Format: Artikel
Sprache:eng
Schlagworte:
Antibodies, Catalytic - chemistry
Catalysis
catalytic antibody
chorismate-prephenate rearrangement
Chorismic Acid - chemistry
computer chemistry
Computer Simulation
Cyclohexanecarboxylic Acids - chemistry
Cyclohexenes - chemistry
enzymes
Molecular Structure
quantum mechanics/molecular mechanics
Rotation
Stereoisomerism
Structure-Activity Relationship
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Zusammenfassung:Thinking it through: Details of the transition‐state structures of the chorismate to prephenate rearrangement in the active site of the 1F7 (N33S) mutant were obtained by computer‐aided rational design. This method may be used to determine whether antibody scaffolds are evolutionary dead ends or if they can be further improved.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200603293