Enzymatic Transition States and Drug Design

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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)
JournalChemical Reviews
DOIs
StateAccepted/In press - Jan 1 2018

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Computational chemistry
Quantum chemistry
Isotopes
Pharmaceutical Preparations
Kinetics
Enzymes

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Enzymatic Transition States and Drug Design. / Schramm, Vern L.

In: Chemical Reviews, 01.01.2018.

Research output: Contribution to journalArticle

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