Mechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes

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49. Yehao Qiu, John F. Hartwig. Mechanism of Ni-Catalyzed Oxidations of Unactivated C(sp3)–H Bonds. Journal of the American Chemical Society 2020, 142 (45) , 19239-19248. https://doi.org/10.1021/jacs.0c09157
50. Ian G. Powers, John M. Andjaba, Matthias Zeller, Christopher Uyeda. Catalytic C(sp2)–H Amination Reactions Using Dinickel Imides. Organometallics 2020, 39 (21) , 3794-3801. https://doi.org/10.1021/acs.organomet.0c00504
51. Mio Kondo, Shigeyuki Masaoka. Pentanuclear Scaffold: A Molecular Platform for Small-Molecule Conversions. Accounts of Chemical Research 2020, 53 (10) , 2140-2151. https://doi.org/10.1021/acs.accounts.0c00186
52. Noah P. Dunham, Frances H. Arnold. Nature’s Machinery, Repurposed: Expanding the Repertoire of Iron-Dependent Oxygenases. ACS Catalysis 2020, 10 (20) , 12239-12255. https://doi.org/10.1021/acscatal.0c03606
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54. Sudipta Mukherjee, Abhijit Nayek, Sarmistha Bhunia, Somdatta Ghosh Dey, Abhishek Dey. A Single Iron Porphyrin Shows pH Dependent Switch between “Push” and “Pull” Effects in Electrochemical Oxygen Reduction. Inorganic Chemistry 2020, 59 (19) , 14564-14576. https://doi.org/10.1021/acs.inorgchem.0c02408
55. Savvas Louka, Sarah M. Barry, Derren J. Heyes, M. Qadri E. Mubarak, Hafiz Saqib Ali, Lona M. Alkhalaf, Andrew W. Munro, Nigel S. Scrutton, Gregory L. Challis, Sam P. de Visser. Catalytic Mechanism of Aromatic Nitration by Cytochrome P450 TxtE: Involvement of a Ferric-Peroxynitrite Intermediate. Journal of the American Chemical Society 2020, 142 (37) , 15764-15779. https://doi.org/10.1021/jacs.0c05070
56. Nikolaos Kostopoulos, Célia Achaibou, Jean-Marc Noël, Frédéric Kanoufi, Marc Robert, Claire Fave, Elodie Anxolabéhère-Mallart. Electrocatalytic O2 Activation by Fe Tetrakis(pentafluorophenyl)porphyrin in Acidic Organic Media. Evidence of High-Valent Fe Oxo Species. Inorganic Chemistry 2020, 59 (16) , 11577-11583. https://doi.org/10.1021/acs.inorgchem.0c01379
57. Fabian C. Fischer, Cedric Abele, Luise Henneberger, Nils Klüver, Maria König, Marie Mühlenbrink, Rita Schlichting, Beate I. Escher. Cellular Metabolism in High-Throughput In Vitro Reporter Gene Assays and Implications for the Quantitative In Vitro–In Vivo Extrapolation. Chemical Research in Toxicology 2020, 33 (7) , 1770-1779. https://doi.org/10.1021/acs.chemrestox.0c00037
58. Andrew J. McNeece, Kate A. Jesse, Jiaze Xie, Alexander S. Filatov, John S. Anderson. Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence. Journal of the American Chemical Society 2020, 142 (24) , 10824-10832. https://doi.org/10.1021/jacs.0c03244
59. Joshua B. McManus, Jeremy D. Griffin, Alexander R. White, David A. Nicewicz. Homobenzylic Oxygenation Enabled by Dual Organic Photoredox and Cobalt Catalysis. Journal of the American Chemical Society 2020, 142 (23) , 10325-10330. https://doi.org/10.1021/jacs.0c04422
60. Wentao Sun, Haijie Xue, Hu Liu, Bo Lv, Yang Yu, Ying Wang, Meilan Huang, Chun Li. Controlling Chemo- and Regioselectivity of a Plant P450 in Yeast Cell toward Rare Licorice Triterpenoid Biosynthesis. ACS Catalysis 2020, 10 (7) , 4253-4260. https://doi.org/10.1021/acscatal.0c00128
61. Nicolás O. Foglia, Sara E. Bari, Darío A. Estrin. In Silico Insight into the Reductive Nitrosylation of Ferric Hemeproteins. Inorganic Chemistry 2020, 59 (6) , 3631-3641. https://doi.org/10.1021/acs.inorgchem.9b03198
62. Matthew N. Podgorski, Joshua S. Harbort, Tom Coleman, Jeanette E. Stok, Jake A. Yorke, Luet-Lok Wong, John B. Bruning, Paul V. Bernhardt, James J. De Voss, Jeffrey R. Harmer, Stephen G. Bell. Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry 2020, 59 (9) , 1038-1050. https://doi.org/10.1021/acs.biochem.0c00027
63. Anna C. Brezny, Samantha I. Johnson, Simone Raugei, James M. Mayer. Selectivity-Determining Steps in O2 Reduction Catalyzed by Iron(tetramesitylporphyrin). Journal of the American Chemical Society 2020, 142 (9) , 4108-4113. https://doi.org/10.1021/jacs.9b13654
64. LiLi Li, Huimin Guo, Linlin Yang, Xuezhao Li, Hailing Wang, Cheng He. Encapsulation of Flavin Cofactor within a Manganese Porphyrin-Based Metal–Organic Polyhedron for Reductive Dioxygen Activation. Inorganic Chemistry 2020, 59 (5) , 2636-2640. https://doi.org/10.1021/acs.inorgchem.9b03430
65. Xiaoyan Lu, Xiao-Xi Li, Yong-Min Lee, Yuri Jang, Mi Sook Seo, Seungwoo Hong, Kyung-Bin Cho, Shunichi Fukuzumi, Wonwoo Nam. Electron-Transfer and Redox Reactivity of High-Valent Iron Imido and Oxo Complexes with the Formal Oxidation States of Five and Six. Journal of the American Chemical Society 2020, 142 (8) , 3891-3904. https://doi.org/10.1021/jacs.9b11682
66. Samuel J. Stoneburner, Donald G. Truhlar, Laura Gagliardi. Transition Metal Spin-State Energetics by MC-PDFT with High Local Exchange. The Journal of Physical Chemistry A 2020, 124 (6) , 1187-1195. https://doi.org/10.1021/acs.jpca.9b10772
67. Hyun Kim, Patrick J. Rogler, Savita K. Sharma, Andrew W. Schaefer, Edward I. Solomon, Kenneth D. Karlin. Heme-FeIII Superoxide, Peroxide and Hydroperoxide Thermodynamic Relationships: FeIII-O2•– Complex H-Atom Abstraction Reactivity. Journal of the American Chemical Society 2020, 142 (6) , 3104-3116. https://doi.org/10.1021/jacs.9b12571
68. Xinyi Li, Lihua Dong, Yongjun Liu. Theoretical Study of Iron Porphyrin Nitrene: Formation Mechanism, Electronic Nature, and Intermolecular C–H Amination. Inorganic Chemistry 2020, 59 (3) , 1622-1632. https://doi.org/10.1021/acs.inorgchem.9b02216
69. Ruihua Zhao, Jiandong Guo, Chaoshen Zhang, Yu Lu, Wasihun Menberu Dagnaw, Zhi-Xiang Wang. DFT Mechanistic Insight into the Dioxygenase-like Reactivity of a CoIII-peroxo Complex: O–O Bond Cleavage via a [1,3]-Sigmatropic Rearrangement-like Mechanism. Inorganic Chemistry 2020, 59 (3) , 2051-2061. https://doi.org/10.1021/acs.inorgchem.9b03470
70. Jian-bo Wang, Qun Huang, Wei Peng, Peng Wu, Da Yu, Bo Chen, Binju Wang, Manfred T. Reetz. P450-BM3-Catalyzed Sulfoxidation versus Hydroxylation: A Common or Two Different Catalytically Active Species?. Journal of the American Chemical Society 2020, 142 (4) , 2068-2073. https://doi.org/10.1021/jacs.9b13061
71. Julian D. Rolfes, Maurice van Gastel, Frank Neese. Where Is the Fluoro Wall?: A Quantum Chemical Investigation. Inorganic Chemistry 2020, 59 (2) , 1556-1565. https://doi.org/10.1021/acs.inorgchem.9b03474
72. Tarali Devi, Yong-Min Lee, Wonwoo Nam, Shunichi Fukuzumi. Tuning Electron-Transfer Reactivity of a Chromium(III)–Superoxo Complex Enabled by Calcium Ion and Other Redox-Inactive Metal Ions. Journal of the American Chemical Society 2020, 142 (1) , 365-372. https://doi.org/10.1021/jacs.9b11014
73. Nenad Manevski, Lloyd King, William R. Pitt, Fabien Lecomte, Francesca Toselli. Metabolism by Aldehyde Oxidase: Drug Design and Complementary Approaches to Challenges in Drug Discovery. Journal of Medicinal Chemistry 2019, 62 (24) , 10955-10994. https://doi.org/10.1021/acs.jmedchem.9b00875
74. Sidra Ghafoor, Asim Mansha, Sam P. de Visser. Selective Hydrogen Atom Abstraction from Dihydroflavonol by a Nonheme Iron Center Is the Key Step in the Enzymatic Flavonol Synthesis and Avoids Byproducts. Journal of the American Chemical Society 2019, 141 (51) , 20278-20292. https://doi.org/10.1021/jacs.9b10526
75. Md. Raihan Sarkar, Sevan D. Houston, G. Paul Savage, Craig M. Williams, Elizabeth H. Krenske, Stephen G. Bell, James J. De Voss. Rearrangement-Free Hydroxylation of Methylcubanes by a Cytochrome P450: The Case for Dynamical Coupling of C–H Abstraction and Rebound. Journal of the American Chemical Society 2019, 141 (50) , 19688-19699. https://doi.org/10.1021/jacs.9b08064
76. M. Qadri E. Mubarak, Sam P. de Visser. Second-Coordination Sphere Effect on the Reactivity of Vanadium–Peroxo Complexes: A Computational Study. Inorganic Chemistry 2019, 58 (23) , 15741-15750. https://doi.org/10.1021/acs.inorgchem.9b01778
77. Zachary Gordon, Tabitha J. Miller, Clare A. Leahy, Ellen M. Matson, Mark Burgess, Michael J. Drummond, Codrina V. Popescu, Connor M. Smith, Richard L. Lord, Joaquín Rodríguez-López, Alison R. Fout. Characterization of Terminal Iron(III)–Oxo and Iron(III)–Hydroxo Complexes Derived from O2 Activation. Inorganic Chemistry 2019, 58 (23) , 15801-15811. https://doi.org/10.1021/acs.inorgchem.9b02079
78. Mahesh Sundararajan, Bohyun Park, Mu-Hyun Baik. Regioselective Oxidation of C–H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host. Inorganic Chemistry 2019, 58 (23) , 16250-16255. https://doi.org/10.1021/acs.inorgchem.9b02803
79. Rui Wei, Xiuting Chen, Yu Gong. Side-On OMoF2(η2-SO) and OWF2(η2-SO) Complexes Featuring Peroxo-Like Sulfur Monoxide Ligand. Inorganic Chemistry 2019, 58 (22) , 15652-15658. https://doi.org/10.1021/acs.inorgchem.9b02766
80. Lijuan Yan, Yongjun Liu. Insights into the Mechanism and Enantioselectivity in the Biosynthesis of Ergot Alkaloid Cycloclavine Catalyzed by Aj_EasH from Aspergillus japonicus. Inorganic Chemistry 2019, 58 (20) , 13771-13781. https://doi.org/10.1021/acs.inorgchem.9b01168
81. Tomoya Ishizuka, Taichi Kogawa, Misaki Makino, Yoshihito Shiota, Kazuaki Ohara, Hiroaki Kotani, Shunsuke Nozawa, Shin-ichi Adachi, Kentaro Yamaguchi, Kazunari Yoshizawa, Takahiko Kojima. Formation of a Ruthenium(V)—Imido Complex and the Reactivity in Substrate Oxidation in Water through the Nitrogen Non-Rebound Mechanism. Inorganic Chemistry 2019, 58 (19) , 12815-12824. https://doi.org/10.1021/acs.inorgchem.9b01781
82. Daniela M. Carminati, Rudi Fasan. Stereoselective Cyclopropanation of Electron-Deficient Olefins with a Cofactor Redesigned Carbene Transferase Featuring Radical Reactivity. ACS Catalysis 2019, 9 (10) , 9683-9697. https://doi.org/10.1021/acscatal.9b02272
83. Thibault Terencio, Erik Andris, Ilaria Gamba, Martin Srnec, Miquel Costas, Jana Roithová. Chemoselectivity in the Oxidation of Cycloalkenes with a Non-Heme Iron(IV)-Oxo-Chloride Complex: Epoxidation vs. Hydroxylation Selectivity. Journal of the American Society for Mass Spectrometry 2019, 30 (10) , 1923-1933. https://doi.org/10.1007/s13361-019-02251-1
84. Christopher W. John, Robert P. Hausinger, Denis A. Proshlyakov. Structural Origin of the Large Redox-Linked Reorganization in the 2-Oxoglutarate Dependent Oxygenase, TauD. Journal of the American Chemical Society 2019, 141 (38) , 15318-15326. https://doi.org/10.1021/jacs.9b07493
85. Wen-Yang Gao, Andrew A. Ezazi, Chen-Hao Wang, Jisue Moon, Carter Abney, Joshua Wright, David C. Powers. Metallopolymerization as a Strategy to Translate Ligand-Modulated Chemoselectivity to Porous Catalysts. Organometallics 2019, 38 (18) , 3436-3443. https://doi.org/10.1021/acs.organomet.9b00162
86. Melanie A. Ehudin, David A. Quist, Kenneth D. Karlin. Enhanced Rates of C–H Bond Cleavage by a Hydrogen-Bonded Synthetic Heme High-Valent Iron(IV) Oxo Complex. Journal of the American Chemical Society 2019, 141 (32) , 12558-12569. https://doi.org/10.1021/jacs.9b01253
87. Paul A. Davethu, Sam P. de Visser. CO2 Reduction on an Iron-Porphyrin Center: A Computational Study. The Journal of Physical Chemistry A 2019, 123 (30) , 6527-6535. https://doi.org/10.1021/acs.jpca.9b05102
88. Seihwan Ahn, Mannkyu Hong, Mahesh Sundararajan, Daniel H. Ess, Mu-Hyun Baik. Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling. Chemical Reviews 2019, 119 (11) , 6509-6560. https://doi.org/10.1021/acs.chemrev.9b00073
89. Michael L. Pegis, Daniel J. Martin, Catherine F. Wise, Anna C. Brezny, Samantha I. Johnson, Lewis E. Johnson, Neeraj Kumar, Simone Raugei, James M. Mayer. Mechanism of Catalytic O2 Reduction by Iron Tetraphenylporphyrin. Journal of the American Chemical Society 2019, 141 (20) , 8315-8326. https://doi.org/10.1021/jacs.9b02640
90. Quan Manh Phung, Kristine Pierloot. Low-Lying Electromeric States in Chloro-Ligated Iron(IV)-Oxo Porphyrin as a Model for Compound I, Studied with Second-Order Perturbation Theory Based on Density Matrix Renormalization Group. Journal of Chemical Theory and Computation 2019, 15 (5) , 3033-3043. https://doi.org/10.1021/acs.jctc.9b00166
91. Haitao Lei, Xialiang Li, Jia Meng, Haoquan Zheng, Wei Zhang, Rui Cao. Structure Effects of Metal Corroles on Energy-Related Small Molecule Activation Reactions. ACS Catalysis 2019, 9 (5) , 4320-4344. https://doi.org/10.1021/acscatal.9b00310
92. Michael J. Drummond, Courtney L. Ford, Danielle L. Gray, Codrina V. Popescu, Alison R. Fout. Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation. Journal of the American Chemical Society 2019, 141 (16) , 6639-6650. https://doi.org/10.1021/jacs.9b01516
93. Chen Zhou, Laura Gagliardi, Donald G. Truhlar. Multiconfiguration Pair-Density Functional Theory for Iron Porphyrin with CAS, RAS, and DMRG Active Spaces. The Journal of Physical Chemistry A 2019, 123 (15) , 3389-3394. https://doi.org/10.1021/acs.jpca.8b12479
94. Morten K. Peters, Sebastian Hamer, Torben Jäkel, Fynn Röhricht, Frank D. Sönnichsen, Carolina von Essen, Manu Lahtinen, Christian Naether, Kari Rissanen, Rainer Herges. Spin Switching with Triazolate-Strapped Ferrous Porphyrins. Inorganic Chemistry 2019, 58 (8) , 5265-5272. https://doi.org/10.1021/acs.inorgchem.9b00349
95. Lili Yang, Qiaohong Zhang, Jiali Gao, Yong Wang. Why Can Normal Palladium Catalysts Efficiently Mediate Aerobic C–H Hydroxylation of Arylpyridines by Intercepting Aldehyde Autoxidation? A Nascent Palladium(III)–Peracid Intermediate Makes a Difference. Inorganic Chemistry 2019, 58 (7) , 4376-4384. https://doi.org/10.1021/acs.inorgchem.8b03515
96. Yuanyuan Fang, Xiaoqin Jiang, Karl M. Kadish, Sergey E. Nefedov, Gayane A. Kirakosyan, Yulia Y. Enakieva, Yulia G. Gorbunova, Aslan Y. Tsivadze, Christine Stern, Alla Bessmertnykh-Lemeune, Roger Guilard. Electrochemical, Spectroelectrochemical, and Structural Studies of Mono- and Diphosphorylated Zinc Porphyrins and Their Self-Assemblies. Inorganic Chemistry 2019, 58 (7) , 4665-4678. https://doi.org/10.1021/acs.inorgchem.9b00268
97. Yanyan Huang, Jinsong Ren, Xiaogang Qu. Nanozymes: Classification, Catalytic Mechanisms, Activity Regulation, and Applications. Chemical Reviews 2019, 119 (6) , 4357-4412. https://doi.org/10.1021/acs.chemrev.8b00672
98. Andrew W. Schaefer, Melanie A. Ehudin, David A. Quist, Joel A. Tang, Kenneth D. Karlin, Edward I. Solomon. Spin Interconversion of Heme-Peroxo-Copper Complexes Facilitated by Intramolecular Hydrogen-Bonding Interactions. Journal of the American Chemical Society 2019, 141 (12) , 4936-4951. https://doi.org/10.1021/jacs.9b00118
99. Fjodor Melnikov, Dianne Botta, Collin C. White, Stefanie C. Schmuck, Matthew Winfough, Christopher M. Schaupp, Evan P. Gallagher, Bryan W. Brooks, Edward Spencer Williams, Philip Coish, Paul T. Anastas, Adelina Voutchkova-Kostal, Jakub Kostal, Terrance J. Kavanagh. Kinetics of Glutathione Depletion and Antioxidant Gene Expression as Indicators of Chemical Modes of Action Assessed in Vitro in Mouse Hepatocytes with Enhanced Glutathione Synthesis. Chemical Research in Toxicology 2019, 32 (3) , 421-436. https://doi.org/10.1021/acs.chemrestox.8b00259
100. Yingying Liu, Tai-Chu Lau. Activation of Metal Oxo and Nitrido Complexes by Lewis Acids. Journal of the American Chemical Society 2019, 141 (9) , 3755-3766. https://doi.org/10.1021/jacs.8b13100