| An artificial heme enzyme for cyclopropanation reactions L Villarino, KE Splan, E Reddem, L Alonso‐Cotchico, ... Angewandte Chemie International Edition 57 (26), 7785-7789, 2018 | 121 | 2018 |
| 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 | 112 | 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 | 108 | 2009 |
| 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 | 106 | 2008 |
| 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 | 103 | 2004 |
| Design of an enantioselective artificial metallo-hydratase enzyme containing an unnatural metal-binding amino acid I Drienovská, L Alonso-Cotchico, P Vidossich, A Lledós, JD Maréchal, ... Chemical science 8 (10), 7228-7235, 2017 | 95 | 2017 |
| Incorporation of manganese complexes into xylanase: new artificial metalloenzymes for enantioselective epoxidation M Allard, C Dupont, V Munoz Robles, N Doucet, A Lledós, JD Maréchal, ... ChemBioChem 13 (2), 240-251, 2012 | 93 | 2012 |
| 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 | 90 | 2004 |
| 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 | 89 | 2005 |
| 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 Lledós, T Schirmer, TR Ward, ... Journal of the American Chemical Society 136 (44), 15676-15683, 2014 | 88 | 2014 |
| 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 | 80 | 2006 |
| 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 | 79 | 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 | 78 | 2011 |
| 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 | 78 | 2008 |
| 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 | 77 | 2009 |
| Defective AMH signaling disrupts GnRH neuron development and function and contributes to hypogonadotropic hypogonadism SA Malone, GE Papadakis, A Messina, NEH Mimouni, S Trova, ... Elife 8, e47198, 2019 | 76 | 2019 |
| 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 | 74 | 2008 |
| 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 | 73 | 2006 |
| 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 | 70 | 2000 |
| Prediction of the interaction of metallic moieties with proteins: An update for protein‐ligand docking techniques G Sciortino, J Rodríguez‐Guerra Pedregal, A Lledós, E Garribba, ... Journal of Computational Chemistry 39 (1), 42-51, 2018 | 69 | 2018 |
Agusti LledosProfessor, Dep. Quimica, Universitat Autonoma de BarcelonaPatvirtintas el. paštas uab.cat
