ONIOM calculations on serotonin degradation by monoamine oxidase B: insight into the oxidation mechanism and covalent reversible inhibition
出版年份 2016 全文链接
标题
ONIOM calculations on serotonin degradation by monoamine oxidase B: insight into the oxidation mechanism and covalent reversible inhibition
作者
关键词
-
出版物
ORGANIC & BIOMOLECULAR CHEMISTRY
Volume 14, Issue 39, Pages 9239-9252
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-09-01
DOI
10.1039/c6ob01175f
参考文献
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注意：仅列出部分参考文献，下载原文获取全部文献信息。- The ONIOM Method and Its Applications
- (2015) Lung Wa Chung et al. CHEMICAL REVIEWS
- Serotonin and Cancer: What Is the Link?
- (2015) D. Sarrouilhe et al. CURRENT MOLECULAR MEDICINE
- Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach
- (2015) Gerald Zapata-Torres et al. Journal of Chemical Information and Modeling
- Influence of the Environment on the Oxidative Deamination of p-Substituted Benzylamines in Monoamine Oxidase
- (2015) Roland K. Zenn et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Amine Oxidation Mediated by N-Methyltryptophan Oxidase: Computational Insights into the Mechanism, Role of Active-Site Residues, and Covalent Flavin Binding
- (2015) Bora Karasulu et al. ACS Catalysis
- Natural Bond Orbital (NBO) Population Analysis of 1-Azanapthalene-8-ol
- (2014) Rubarani P. Gangadharan et al. ACTA PHYSICA POLONICA A
- Monoamine oxidase A and B substrates: probing the pathway for drug development
- (2014) Sarah Chajkowski-Scarry et al. Future Medicinal Chemistry
- Examining Electrostatic Preorganization in Monoamine Oxidases A and B by Structural Comparison and pKa Calculations
- (2014) Matej Repič et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine
- (2014) Matej Repič et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Drug discovery considerations in the development of covalent inhibitors
- (2013) Robert Mah et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- A comparative computational investigation on the proton and hydride transfer mechanisms of monoamine oxidase using model molecules
- (2013) Vildan Enisoğlu Atalay et al. COMPUTATIONAL BIOLOGY AND CHEMISTRY
- Inhibitor Design for Monoamine Oxidases
- (2013) Rona R. Ramsay CURRENT PHARMACEUTICAL DESIGN
- Quantum chemical modeling of the inhibition mechanism of monoamine oxidase by oxazolidinone and analogous heterocyclic compounds
- (2013) Safiye Sağ Erdem et al. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
- Do MAO A and MAO B utilize the same mechanism for the C–H bond cleavage step in catalysis? Evidence suggesting differing mechanisms
- (2013) R. Orru et al. JOURNAL OF NEURAL TRANSMISSION
- Computational modeling of the direct hydride transfer mechanism for the MAO catalyzed oxidation of phenethylamine and benzylamine: ONIOM (QM/QM) calculations
- (2013) Mehmet Ali Akyüz et al. JOURNAL OF NEURAL TRANSMISSION
- Reaction Mechanism of Monoamine Oxidase from QM/MM Calculations
- (2013) Enrique Abad et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Amine Oxidation Mediated by Lysine-Specific Demethylase 1: Quantum Mechanics/Molecular Mechanics Insights into Mechanism and Role of Lysine 661
- (2013) Bora Karasulu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- How are Biogenic Amines Metabolized by Monoamine Oxidases?
- (2012) Robert Vianello et al. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
- Computational investigation on the structure–activity relationship of the biradical mechanism for monoamine oxidase
- (2011) Safiye S. Erdem et al. JOURNAL OF NEURAL TRANSMISSION
- 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
- (2011) Susanna MacMillar et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Catalytic Mechanism Investigation of Lysine-Specific Demethylase 1 (LSD1): A Computational Study
- (2011) Xiangqian Kong et al. PLoS One
- Kinetic Isotope Effects on the Noncovalent Flavin Mutant Protein of Pyranose 2-Oxidase Reveal Insights into the Flavin Reduction Mechanism
- (2010) Jeerus Sucharitakul et al. BIOCHEMISTRY
- Potentiation of Ligand Binding through Cooperative Effects in Monoamine Oxidase B
- (2010) Daniele Bonivento et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Oxidation of amines by flavoproteins
- (2009) Paul F. Fitzpatrick ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
- Molecular and Mechanistic Properties of the Membrane-Bound Mitochondrial Monoamine Oxidases
- (2009) Dale E. Edmondson et al. BIOCHEMISTRY
- What’s in a covalent bond?
- (2009) Dominic P. H. M. Heuts et al. FEBS Journal
- Structural and Mechanistic Studies of Mofegiline Inhibition of Recombinant Human Monoamine Oxidase B∥
- (2008) Erika M. Milczek et al. JOURNAL OF MEDICINAL CHEMISTRY
- Application of the PM6 method to modeling the solid state
- (2008) James J. P. Stewart JOURNAL OF MOLECULAR MODELING
- Application of the PM6 method to modeling proteins
- (2008) James J. P. Stewart JOURNAL OF MOLECULAR MODELING
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