Department of Pharmacology and Toxicology
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How does product isotope effect prove the operation of a two-state "rebound" mechanism in C-H hydroxylation by cytochrome P450?
Journal of the American Chemical Society Oct, 2003 | Pubmed ID: 14570465
Active species of horseradish peroxidase (HRP) and cytochrome P450: two electronic chameleons.
Journal of the American Chemical Society Dec, 2003 | Pubmed ID: 14677968
Radical clock substrates, their C-H hydroxylation mechanism by cytochrome P450, and other reactivity patterns: what does theory reveal about the clocks' behavior?
Journal of the American Chemical Society Feb, 2004 | Pubmed ID: 14871124
Porphyrin traps its terminator! Concerted and stepwise porphyrin degradation mechanisms induced by heme-oxygenase and cytochrome p450.
Angewandte Chemie (International ed. in English) Feb, 2004 | Pubmed ID: 14983454
Oxygen economy of cytochrome P450: what is the origin of the mixed functionality as a dehydrogenase-oxidase enzyme compared with its normal function?
Journal of the American Chemical Society Apr, 2004 | Pubmed ID: 15099082
How do aldehyde side products occur during alkene epoxidation by cytochrome P450? Theory reveals a state-specific multi-state scenario where the high-spin component leads to all side products.
Journal of inorganic biochemistry Jul, 2004 | Pubmed ID: 15219984
A predictive pattern of computed barriers for C-h hydroxylation by compound I of cytochrome p450.
Journal of the American Chemical Society Jul, 2004 | Pubmed ID: 15237977
One oxidant, many pathways: a theoretical perspective of monooxygenation mechanisms by cytochrome P450 enzymes.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry Sep, 2004 | Pubmed ID: 15365903
External electric field will control the selectivity of enzymatic-like bond activations.
Journal of the American Chemical Society Sep, 2004 | Pubmed ID: 15366922
Computer-generated high-valent iron--oxo and manganese--oxo species with polyoxometalate ligands: how do they compare with the iron--oxo active species of heme enzymes?
Angewandte Chemie (International ed. in English) Oct, 2004 | Pubmed ID: 15495193
The intrinsic axial ligand effect on propene oxidation by horseradish peroxidase versus cytochrome P450 enzymes.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry Mar, 2005 | Pubmed ID: 15723206
Multistate reactivity in styrene epoxidation by compound I of cytochrome p450: mechanisms of products and side products formation.
Chemistry (Weinheim an der Bergstrasse, Germany) Apr, 2005 | Pubmed ID: 15744771
Sulfoxidation mechanisms catalyzed by cytochrome P450 and horseradish peroxidase models: spin selection induced by the ligand.
Biochemistry Jun, 2005 | Pubmed ID: 15924434
Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450?
Journal of the American Chemical Society Jun, 2005 | Pubmed ID: 15926822
Theory favors a stepwise mechanism of porphyrin degradation by a ferric hydroperoxide model of the active species of heme oxygenase.
Journal of the American Chemical Society Jun, 2005 | Pubmed ID: 15926850
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.
Chemical reviews Jun, 2005 | Pubmed ID: 15941215
Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450.
Journal of the American Chemical Society Sep, 2005 | Pubmed ID: 16159296
The high-valent iron-oxo species of polyoxometalate, if it can be made, will be a highly potent catalyst for C-H hydroxylation and double-bond epoxidation.
Journal of the American Chemical Society Dec, 2005 | Pubmed ID: 16351100
Kinetic isotope effect is a sensitive probe of spin state reactivity in C-H hydroxylation of N,N-dimethylaniline by cytochrome P450.
Journal of the American Chemical Society Jan, 2006 | Pubmed ID: 16402810
Gauging the relative oxidative powers of compound I, ferric-hydroperoxide, and the ferric-hydrogen peroxide species of cytochrome P450 toward C-H hydroxylation of a radical clock substrate.
Journal of the American Chemical Society Jan, 2006 | Pubmed ID: 16402834
In silico design of a mutant of cytochrome P450 containing selenocysteine.
Journal of the American Chemical Society Mar, 2006 | Pubmed ID: 16492051
Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes.
Journal of the American Chemical Society Jul, 2006 | Pubmed ID: 16802826
Ferromagnetic bonding: high spin copper clusters (n+1)Cu(n); n = 2-14) devoid of electron pairs but possessing strong bonding.
The journal of physical chemistry. A Jul, 2006 | Pubmed ID: 16821835
New features in the catalytic cycle of cytochrome P450 during the formation of compound I from compound 0.
The journal of physical chemistry. B Oct, 2005 | Pubmed ID: 16853579
Catalysts for monooxygenations made from polyoxometalate: an iron(V)-oxo derivative of the Lindqvist anion.
Inorganic chemistry Oct, 2006 | Pubmed ID: 17029376
On the identity and reactivity patterns of the "second oxidant" of the T252A mutant of cytochrome P450cam in the oxidation of 5-methylenenylcamphor.
Journal of inorganic biochemistry Dec, 2006 | Pubmed ID: 17084458
Characterization of manganese(V)-oxo polyoxometalate intermediates and their properties in oxygen-transfer reactions.
Journal of the American Chemical Society Dec, 2006 | Pubmed ID: 17132012
Proton-shuffle mechanism of O-O activation for formation of a high-valent oxo-iron species of bleomycin.
Journal of the American Chemical Society Dec, 2006 | Pubmed ID: 17165768
Formation of the active species of cytochrome p450 by using iodosylbenzene: a case for spin-selective reactivity.
Chemistry (Weinheim an der Bergstrasse, Germany) , 2007 | Pubmed ID: 17367100
Singlet diradical character of an oxidized ruthenium trithiolate: electronic structure and reactivity.
Angewandte Chemie (International ed. in English) , 2007 | Pubmed ID: 17450515
Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: a tale of many states.
Accounts of chemical research Jul, 2007 | Pubmed ID: 17488054
Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states-two oxidants conundrum.
Natural product reports Jun, 2007 | Pubmed ID: 17534529
Theoretical study of N-demethylation of substituted N,N-dimethylanilines by cytochrome P450: the mechanistic significance of kinetic isotope effect profiles.
The journal of physical chemistry. B Jul, 2007 | Pubmed ID: 17559261
Multireference ab initio quantum mechanics/molecular mechanics study on intermediates in the catalytic cycle of cytochrome P450(cam).
The journal of physical chemistry. A Dec, 2008 | Pubmed ID: 18543897
A valence bond modeling of trends in hydrogen abstraction barriers and transition states of hydroxylation reactions catalyzed by cytochrome P450 enzymes.
Journal of the American Chemical Society Aug, 2008 | Pubmed ID: 18616242
A tribute to Sason Shaik.
The journal of physical chemistry. A Dec, 2008 | Pubmed ID: 19072248
How is the reactivity of cytochrome P450cam affected by Thr252X mutation? A QM/MM study for X = serine, valine, alanine, glycine.
Journal of the American Chemical Society Apr, 2009 | Pubmed ID: 19281168
QM/MM study of the second proton transfer in the catalytic cycle of the D251N mutant of cytochrome P450cam.
The journal of physical chemistry. B Jul, 2009 | Pubmed ID: 19537775
Effect of porphyrin ligands on the regioselective dehydrogenation versus epoxidation of olefins by oxoiron(IV) mimics of cytochrome P450.
The journal of physical chemistry. A Oct, 2009 | Pubmed ID: 19658379
P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations.
Chemical reviews Feb, 2010 | Pubmed ID: 19813749
Electronic properties of pentacoordinated heme complexes in cytochrome P450 enzymes: search for an Fe(I) oxidation state.
Physical chemistry chemical physics : PCCP Nov, 2009 | Pubmed ID: 19865780
Coupling and uncoupling mechanisms in the methoxythreonine mutant of cytochrome P450cam: a quantum mechanical/molecular mechanical study.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry Mar, 2010 | Pubmed ID: 20225401
What factors influence the rate constant of substrate epoxidation by compound I of cytochrome P450 and analogous iron(IV)-oxo oxidants?
Journal of the American Chemical Society Jun, 2010 | Pubmed ID: 20481499
Steric factors override thermodynamic driving force in regioselectivity of proline hydroxylation by prolyl-4-hydroxylase enzymes.
The journal of physical chemistry. A Dec, 2010 | Pubmed ID: 21114303
Water as biocatalyst in cytochrome P450.
Faraday discussions , 2011 | Pubmed ID: 21322494
Theoretical study on the mechanism of the oxygen activation process in cysteine dioxygenase enzymes.
Journal of the American Chemical Society Mar, 2011 | Pubmed ID: 21344861
Comparison of computational methods to model DNA minor groove binders.
Journal of chemical information and modeling Mar, 2011 | Pubmed ID: 21375336
Effect of the axial ligand on substrate sulfoxidation mediated by iron(IV)-oxo porphyrin cation radical oxidants.
Chemistry (Weinheim an der Bergstrasse, Germany) May, 2011 | Pubmed ID: 21469227
Study of occupational stress among railway engine pilots.
Indian journal of occupational and environmental medicine Jan, 2011 | Pubmed ID: 21808497
Oxidative properties of a nonheme Ni(II)(O2) complex: Reactivity patterns for C-H activation, aromatic hydroxylation and heteroatom oxidation.
Chemical communications (Cambridge, England) Oct, 2011 | Pubmed ID: 21892444
Nonheme ferric hydroperoxo intermediates are efficient oxidants of bromide oxidation.
Chemical communications (Cambridge, England) Oct, 2011 | Pubmed ID: 21904759
Mechanism of S-oxygenation by a cysteine dioxygenase model complex.
The journal of physical chemistry. A Jan, 2012 | Pubmed ID: 22091701
Axial ligand effect on the rate constant of aromatic hydroxylation by iron(IV)-oxo complexes mimicking cytochrome P450 enzymes.
The journal of physical chemistry. B Jan, 2012 | Pubmed ID: 22132821
Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes.
Organic & biomolecular chemistry Jul, 2012 | Pubmed ID: 22714822
Generation of a high-valent iron imido corrolazine complex and NR group transfer reactivity.
Inorganic chemistry Apr, 2013 | Pubmed ID: 23527920
The serum C Peptide levels among the offsprings of the people with type 2 diabetes.
Journal of clinical and diagnostic research : JCDR May, 2013 | Pubmed ID: 23814721
Rationalization of the barrier height for p-Z-styrene epoxidation by iron(IV)-oxo porphyrin cation radicals with variable axial ligands.
Inorganic chemistry Jul, 2013 | Pubmed ID: 23822112
Inversion of enantioselectivity of a mononuclear non-heme iron(II)-dependent hydroxylase by tuning the interplay of metal-center geometry and protein structure.
Angewandte Chemie (International ed. in English) Sep, 2013 | Pubmed ID: 23881738
Three-dimensional echocardiographic delineation of an acquired aorto-left atrial fistula complicating native aortic valve endocarditis - "advantage of three dimensions".
Echocardiography (Mount Kisco, N.Y.) Nov, 2013 | Pubmed ID: 23931072
Genetic dissection of puberty in mice.
Experimental physiology Nov, 2013 | Pubmed ID: 23955307
Synthesis and ligand non-innocence of thiolate-ligated (N4S) Iron(II) and nickel(II) bis(imino)pyridine complexes.
Inorganic chemistry Sep, 2013 | Pubmed ID: 23992096
Mechanistic insight into halide oxidation by non-heme iron complexes. Haloperoxidase versus halogenase activity.
Chemical communications (Cambridge, England) Dec, 2013 | Pubmed ID: 24136302
Comparison of the reactivity of nonheme iron(IV)-oxo versus iron(IV)-imido complexes: which is the better oxidant?
Angewandte Chemie (International ed. in English) Nov, 2013 | Pubmed ID: 24222577
Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymes.
Chemistry (Weinheim an der Bergstrasse, Germany) Jan, 2014 | Pubmed ID: 24339041
Murine arcuate nucleus kisspeptin neurons communicate with GnRH neurons in utero.
The Journal of neuroscience : the official journal of the Society for Neuroscience Mar, 2014 | Pubmed ID: 24599473
Thioether-ligated iron(II) and iron(III)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere.
Dalton transactions (Cambridge, England : 2003) May, 2014 | Pubmed ID: 24705907
Properties and reactivities of nonheme iron(IV)-oxo versus iron(V)-oxo: long-range electron transfer versus hydrogen atom abstraction.
Physical chemistry chemical physics : PCCP Nov, 2014 | Pubmed ID: 25231726
Specialized subpopulations of kisspeptin neurons communicate with GnRH neurons in female mice.
Endocrinology Oct, 2014 | Pubmed ID: 25337655
Long-Range Electron Transfer Triggers Mechanistic Differences between Iron(IV)-Oxo and Iron(IV)-Imido Oxidants.
Journal of the American Chemical Society Dec, 2014 | Pubmed ID: 25392052
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