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Enzymatic Transition States and Drug Design

Year: 2018
Type: review
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.
DOI: 10.1021/acs.chemrev.8b00369
Language: English
Field: Chemistry
Open Access status: green
Funders: U.S. Department of Defense, Medicines for Malaria Venture, National Institutes of Health, National Cancer Institute, National Institute of General Medical Sciences, National Institute of Allergy and Infectious Diseases
Awards: G1578944096, G163133106, G1754256048, G1842308918, Transition State Analysis of Enzymatic Reactions, G3371260759, Protein Dynamics in Enzymatic Catalysis, Transition State Analysis of Enzymatic Reactions, G3981344285, G4285811448, G6120118751, G7640398167, G8372175733, G8814664320
OpenAlex ID: W2896043720
FWCI: 0.328
Cites: 467
Cited by: 90
Related to: 10