Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine-Reference-Cited by-同舟云学术

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Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine

Published:2016-03-31 Issue:14 Volume:120 Page:3488-3492
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Mavri Janez¹,Matute Ricardo A.²,Chu Zhen T.²,Vianello Robert³

Affiliation:

1. Laboratory for Biocomputing and Bioinformatics, National Institute of Chemistry, Hajdrihova 19, SI−1000 Ljubljana, Slovenia

2. University of Southern California, Department of Chemistry SGM 418, 3620 McClintock Avenue Los Angeles, California 90089-1062, United States

3. Computational Organic Chemistry and Biochemistry Group, Ruđer Bošković Institute, Bijenička 54, HR−10000 Zagreb, Croatia

Funder

Javna Agencija za Raziskovalno Dejavnost RS

European Cooperation in Science and Technology

Directorate-General for Research and Innovation

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.6b00894

Reference32 articles.

1. Monoamine Oxidases: The Biochemistry of the Proteins As Targets in Medicinal Chemistry and Drug Discovery

2. Nitrogen Kinetic Isotope Effects for the Monoamine Oxidase B-Catalyzed Oxidation of Benzylamine and (1,1-2H2)Benzylamine: Nitrogen Rehybridization and CH Bond Cleavage Are Not Concerted

3. Calculation of substrate dissociation constants from steady-state isotope effects in enzyme-catalyzed reactions

4. Structure-Activity Relationships in the Oxidation of Benzylamine Analogs by Bovine Liver Mitochondrial Monoamine Oxidase B

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