Computer Aided Rational Design of New Biological Catalists
V.MOLINER
Departament de Ciències Experimentals; Universitat Jaume I, Box
224, Castellón (Spain)
Tel. +34964728084 Fax. +34964728066 E-mail. moliner@exp.uji.es
Vendredi 1 décembre 2006, 14h00
Two main strategies have raised in recent years in order to improve the
catalytic power of catalytic antibodies (CA), the rational design
approach that consists in direct mutation of residues on selected
specific positions on the active site of the protein, and directed in
vitro evolution consisting of search of sequence space and iterative
cycling of variation and selection, strategies that can be combined as
proposed by some authors.
Here we show a computer aided rational design protocol to improve
the efficiency of CAs. The information derived from Theoretical and
Computational Chemistry techniques has allowed proposing mutations at
the active site of several CAs, some of them never done up to now, that
enhance the rate constant of the chemical step.