Concurrent Cooperativity and Substrate Inhibition in the Epoxidation of Carbamazepine by Cytochrome P450 3A4 Active Site Mutants Inspired by Molecular Dynamics Simulations

Author:

Müller Christian S.12,Knehans Tim3,Davydov Dmitri R.45,Bounds Patricia L.2,von Mandach Ursula1,Halpert James R.4,Caflisch Amedeo3,Koppenol Willem H.2

Affiliation:

1. Department of Obstetrics, University Hospital Zurich, Zürich, Switzerland

2. Institute of Inorganic Chemistry, Swiss Federal Institute of Technology (ETH) Zurich, CH-8093 Zürich, Switzerland

3. Department of Biochemistry, University of Zurich, CH-8057 Zürich, Switzerland

4. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego, La Jolla, California 92093-0202, United States

5. V. N. Orekhovich Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Moscow, Russia

Funder

Eidgenössische Technische Hochschule Zürich

Schweizerische Nationalfonds zur Förderung der Wissenschaftlichen Forschung

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Biochemistry

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