Enzymatic Transition States and Drug Design

Research output: Contribution to journalReview articlepeer-review

11 Scopus citations


Transition state theory teaches that chemically stable mimics of enzymatic transition states will bind tightly to their cognate enzymes. Kinetic isotope effects combined with computational quantum chemistry provides enzymatic transition state information with sufficient fidelity to design transition state analogues. Examples are selected from various stages of drug development to demonstrate the application of transition state theory, inhibitor design, physicochemical characterization of transition state analogues, and their progress in drug development.

Original languageEnglish (US)
Pages (from-to)11194-11258
Number of pages65
JournalChemical Reviews
Issue number22
StatePublished - Nov 28 2018

ASJC Scopus subject areas

  • Chemistry(all)

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