|Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition|
CA Kemp, JU Flanagan, AJ van Eldik, JD Maréchal, CR Wolf, ...
Journal of medicinal chemistry 47 (22), 5340-5346, 2004
|Phe120 contributes to the regiospecificity of cytochrome P450 2D6: mutation leads to the formation of a novel dextromethorphan metabolite|
JU Flanagan, JD Maréchal, R Ward, CA Kemp, LA McLAUGHLIN, ...
Biochemical Journal 380 (2), 353-360, 2004
|Filling a hole in cytochrome P450 BM3 improves substrate binding and catalytic efficiency|
WC Huang, ACG Westlake, JD Maréchal, MG Joyce, PCE Moody, ...
Journal of molecular biology 373 (3), 633-651, 2007
|Targeting STAT1 by myricetin and delphinidin provides efficient protection of the heart from ischemia/reperfusion‐induced injury|
TM Scarabelli, S Mariotto, S Abdel-Azeim, K Shoji, E Darra, A Stephanou, ...
FEBS letters 583 (3), 531-541, 2009
|Why is quinidine an inhibitor of cytochrome P450 2D6? The role of key active-site residues in quinidine binding|
LA McLaughlin, MJI Paine, CA Kemp, JD Maréchal, JU Flanagan, ...
Journal of Biological Chemistry 280 (46), 38617-38624, 2005
|Normal mode analysis as a prerequisite for drug design: application to matrix metalloproteinases inhibitors|
N Floquet, JD Marechal, MA Badet-Denisot, CH Robert, M Dauchez, ...
FEBS letters 580 (22), 5130-5136, 2006
|Incorporation of manganese complexes into xylanase: new artificial metalloenzymes for enantioselective epoxidation|
M Allard, C Dupont, V Muñoz Robles, N Doucet, A Lledós, JD Maréchal, ...
ChemBioChem 13 (2), 240-251, 2012
|Amine conformational change and spin conversion induced by metal-assisted ligand oxidation: from the seven-coordinate iron (II)–TPAA complex to the two oxidized iron (II)–(py …|
I Morgenstern-Badarau, F Lambert, JP Renault, M Cesario, JD Maréchal, ...
Inorganica Chimica Acta 297 (1-2), 338-350, 2000
|Insight into the apoptosis-inducing action of α-bisabolol towards malignant tumor cells: Involvement of lipid rafts and Bid|
E Darra, S Abdel-Azeim, A Manara, K Shoji, JD Maréchal, S Mariotto, ...
Archives of biochemistry and biophysics 476 (2), 113-123, 2008
|Three Dimensional Models of Cu2+-Aβ(1–16) Complexes from Computational Approaches|
J Alí-Torres, JD Maréchal, L Rodríguez-Santiago, M Sodupe
Journal of the American Chemical Society 133 (38), 15008-15014, 2011
|Selective oxidation of aromatic sulfide catalyzed by an artificial metalloenzyme: new activity of hemozymes|
R Ricoux, M Allard, R Dubuc, C Dupont, JD Maréchal, JP Mahy
Organic & biomolecular chemistry 7 (16), 3208-3211, 2009
|In silico and in vitro screening for inhibition of cytochrome P450 CYP3A4 by comedications commonly used by patients with cancer|
JD Marechal, J Yu, S Brown, I Kapelioukh, EM Rankin, CR Wolf, ...
Drug metabolism and disposition 34 (4), 534-538, 2006
|How do azoles inhibit cytochrome P450 enzymes? A density functional study|
PR Balding, CS Porro, KJ McLean, MJ Sutcliffe, JD Maréchal, AW Munro, ...
The Journal of Physical Chemistry A 112 (50), 12911-12918, 2008
|Multiple substrate binding by cytochrome P450 3A4: estimation of the number of bound substrate molecules|
Y Kapelyukh, MJI Paine, JD Maréchal, MJ Sutcliffe, CR Wolf, ...
Drug metabolism and disposition 36 (10), 2136-2144, 2008
|Natural mutations of the anti-Müllerian hormone type II receptor found in persistent Müllerian duct syndrome affect ligand binding, signal transduction and cellular transport|
C Belville, JD Maréchal, S Pennetier, P Carmillo, L Masgrau, ...
Human molecular genetics 18 (16), 3002-3013, 2009
|Structural, kinetic, and docking studies of artificial imine reductases based on biotin–streptavidin technology: an induced lock-and-key hypothesis|
VM Robles, M Dürrenberger, T Heinisch, A Lledos, T Schirmer, TR Ward, ...
Journal of the American Chemical Society 136 (44), 15676-15683, 2014
|Design, synthesis and biological activity of new CDK4-specific inhibitors, based on fascaplysin|
C Aubry, AJ Wilson, PR Jenkins, S Mahale, B Chaudhuri, JD Maréchal, ...
Organic & biomolecular chemistry 4 (5), 787-801, 2006
|Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6‐drug interactions|
JD Maréchal, CA Kemp, GCK Roberts, MJI Paine, CR Wolf, MJ Sutcliffe
British journal of pharmacology 153 (S1), S82-S89, 2008
|The design and synthesis of novel 3-[2-indol-1-yl-ethyl]-1H-indole derivatives as selective inhibitors of CDK4|
C Aubry, A Patel, S Mahale, B Chaudhuri, JD Maréchal, MJ Sutcliffe, ...
Tetrahedron letters 46 (9), 1423-1425, 2005
|In silico prediction of drug binding to CYP2D6: identification of a new metabolite of metoclopramide|
J Yu, MJI Paine, JD Marechal, CA Kemp, CJ Ward, S Brown, MJ Sutcliffe, ...
Drug metabolism and disposition 34 (8), 1386-1392, 2006