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The Search for the Mechanism of the Reaction Catalyzed by Farnesyltransferase
Author(s) -
Sousa Sérgio Filipe,
Fernandes Pedro Alexandrino,
Ramos Maria João
Publication year - 2009
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200802745
Subject(s) - farnesyltransferase , oniom , catalysis , mechanism (biology) , quantum chemical , transition state , chemistry , reaction mechanism , enzyme , computational chemistry , combinatorial chemistry , farnesyltransferase inhibitor , enzyme catalysis , transition state analog , active site , organic chemistry , physics , molecule , quantum mechanics , prenylation
Atomic‐level portrait : The mechanism of the reaction catalyzed by the puzzling enzyme farnesyltransferase is elucidated by using computational methods, allowing the obtainment of the first real detailed atomistic quantum‐chemical transition‐state structure (see figure) for the reaction catalyzed by this enzyme. The results obtained provide an atomic‐level framework for the design of more potent and specific inhibitors for this important enzyme.