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A. Jalila

Dr. A. jalila Simaan's picture
A. Jalila
AMU iSm2 Service 342
Campus Scientifique de St Jérôme
Marseille cedex 20

Phone number
0491 28 84 40

Career path
2016: CNRS director
2002: CNRS researcher in Marseille
2000-2001 : Postdoc in Raman Spectroscopy with Prof. Peter Hildebrandt/ Max Planck Institut für Strahlenchemie, Mülheim / Ruhr (Allemagne) et à Instituto de Tecnológia Química e Biológica, Oeiras (Portugal)
1997-2000 : PhD in Bio-inorganique chemistry, Paris-Sud University (Orsay) / Prof Jean-Jacques GIRERD and Frédéric Banse
1996 :«Agrégation externe de Sciences Physiques Option Chimie ».
1993 -1997: Student at the « Ecole Normale Supérieure de Cachan »  Chemistry department. Physical Chemistry studies at Université Paris-Sud, Orsay.
Research themes

Copper containing Monooxygenases enzymes and model complexes

In collaboration with Marius Réglier, Christophe Decroos, Bruno Faure, Maylis Orio (iSm2/BiosCiences)
Current PhD students: Alessia Munzone (with C. Decroos, 2017-) & Rogelio Gomez Pineiro (with M. Orio, 2018-)

Copper containing Monooxygenases couple dioxygen reductive activation to oxygen atom transfer into a substrate's C-H bond. Copper Monooxygenases display active sites of diverse nuclearities and structures. We are interested in several monooxygenases and in particular, in Lytic Polysaccharide Monooxygenases or LPMOs, mononuclear copper-containing enzymes that boost recalcitrant polysaccharide degradation (biomass) via oxidative pathways. LPMO possess a rare coordination motif: the N-terminal histidine is bound to the copper ion via both its imidazole ring and the amino terminal group (Histidine-brace motif).

Our studies are centered on  :

  • Understanding the mechanism of enzymatic systems (e.g. LPMOs)
  • Preparing copper-containing bio-inspired models and trapping reaction intermediates
  • Performing water oxidation/activation with copper complexes

External collaborations: Dr. Catherine Belle, Dr. Hélène Jamet and Dr. Aurore Thibon-Pourret (Université Grenoble-Alpes / CNRS); Dr. Nicolas Le Poul (Université de Bretagne Occidentale, CNRS); Prof. Ivan Castillo (UNAM, Mexico, ECOS-Nord project);

ACC Oxidase, a non-heme iron(II) enzyme

PhD student (past): Dr. Eugénie Fournier (with Prof. V. Belle, 2015-2018)

The plant hormone ethylene is essential for many aspects of plant life germination, senescence, fruit ripening and defense mechanisms. Ethylene is directly biosynthesized from 1-aminocyclopropane carboxylic acid (ACC), a metabolite of methionine. This step is catalyzed by ACC Oxidase a non-heme iron(II) containing enzyme. The conversion of ACC into ethylene requires the presence of ferrous ions, dioxygen and ascorbate. In addition, ACCO also requires the presence of CO2 (or HCO3-) for activity.

The crystallographic structures revealed a coeur folded in beta barrel that contains the active site. The iron(II)  ion is coordinated by the side chains of 2 histidines and one aspartate in a classical facial triad. Although several set of structures have been obtained, there are still question on the active conformation of the enzyme and in particular, that of the C-terminal part (in red on the figure ).Thanks to an interdisciplinary approach we aim at getting more information on this enzyme 

Our studies are centered on:

  • Understanding the mode of action of the enzyme
  • Exploring metal / activity modification
  • Getting information on the active conformation and dynamic of the C-terminal part
  • preparing model complexes

External collaborations: Prof. Valérie Belle and Dr. Marlène Martinho (Université d'Aix-Marseille); Prof. Christian Limberg (Humboldt University, Berlin, Germany); Prof. József Kaizer (University of Pannonia, Veszprém, Hungary); Dr. Wadih Ghattas & Prof. Jean-Pierre Mahy (Université Paris-Saclay)

Publications (54)
ReferenceGraphical Abstracts
Formation, Characterization, and Reactivity of a Nonheme Oxoiron(IV) Complex Derived from the Chiral Pentadentate Ligand asN4Py

Dóra Lakk-Bogáth, Róbert Csonka, Gábor Speier, Marius Réglier, A. Jalila Simaan, Jean-Valère Naubron, Michel Giorgi, Károly Lázár, József Kaizer, Inorganic Chemistry, 2016, 55, 10090 - 10093. <hal-01475455>
Changing the chemical and physical properties of high valent heterobimetallic bis-(μ-oxido) Cu–Ni complexes by ligand effects

Maria-Chrysanthi Kafentzi, Maylis Orio, Marius Réglier, Shenglai Yao, Uwe Kuhlmann, Peter Hildebrandt, Matthias Driess, A. Jalila Simaan, Kallol Ray, Dalton Transactions, 2016, 45, 15994 - 16000. <hal-01475476>
Oxidative DNA Cleavage Promoted by a Phenoxyl-Radical Copper(II) Complex

Olesea Cuzan, Amélie Kochem, A. Jalila Simaan, Sylvain Bertaina, Bruno Faure, Viviane Robert, Sergiu Shova, Michel Giorgi, Michel Maffei, Marius Réglier, Maylis Orio, European Journal of Inorganic Chemistry, 2016, 2016, 5575 - 5584. <hal-01475484>
Laccases as palladium oxidases

Yasmina Mekmouche, Ludovic Schneider, Pierre Rousselot-Pailley, Bruno Faure, A. Jalila Simaan, Constance Bochot, Marius Réglier, Thierry Tron, Chem. Sci., 2015, 6, 1247 - 1251. <hal-01475415>
1-amino-1carboxylic acid oxidase

"Marius Réglier, A. Jalila Simaan in RSC Metallobiology Series No. 3 ""2-Oxoglutarate-Dependent Oxygenases"", Edited by Robert P. Hausinger and Christopher J. Schofield, The Royal Society of Chemistry 2015"
Validation of a general method for activity estimation of cyanide evolving oxidoreductases

Francisco Gasteazoro, Ariane Jalila Simaan, Raunel Tinoco-Valencia, Brenda Valderrama, Analytical Biochemistry, 2015, 471, 44 - 50. <hal-01461823>
Comparison of heme and nonheme iron-based 1-aminocyclopropane-1-carboxylic acid oxidase mimics: kinetic, mechanistic and computational studies

Dóra Lakk-Bogáth, Gábor Speier, Mihai Surducan, Radu Silaghi-Dumitrescu, A. Jalila Simaan, Bruno Faure, József Kaizer, RSC Advances, 2015, 5, 2075 - 2079. <hal-01475440>
A Structural and Functional Model for the 1-Aminocyclopropane-1-carboxylic Acid Oxidase

Madleen Sallmann, Fabio Oldenburg, Beatrice Braun, Marius Réglier, A. Jalila Simaan, Christian Limberg, Angewandte Chemie International Edition, 2015, 54, 12325 - 12328. <hal-01475409>
Synthesis and characterization of [Fe(BPMEN)-ACC]SbF 6 : a structural and functional mimic of ACC-oxidase †

Y Roux, W Ghattas, F Avenier, R Guillot, Ariane Jalila Simaan, J.-P Mahy, Dalton Transactions, 2015, 44, 5966-5968. <hal-01258299>
Visible-Light-Driven Oxidation of Organic Substrates with Dioxygen Mediated by a [Ru(bpy) 3 ] 2+ /Laccase System

Ludovic Schneider, Yasmina Mekmouche, Pierre Rousselot-Pailley, A. Jalila Simaan, Viviane Robert, Marius Réglier, Ally Aukauloo, Thierry Tron, ChemSusChem, 2015, 8, 3048 - 3051. <hal-01475419>


Chapters of books (2)
ReferenceGraphical Abstracts
A. Jalila Simaan, Alda Lisa Concia, Alessia Munzone, Maria-Chrysanthi Kafentzi, Amélie Kochem, et al.. Modeling the Mononuclear Copper Monooxygenase Active Site. Series on Chemistry, Energy and the Environment: Volume 5 Bioinspired Chemistry; From Enzymes to Synthetic Models, pp.185-263, 2019, ⟨10.1142/9789813274440_0008⟩. ⟨hal-02094996⟩
A. Jalila Simaan, Marius Réglier. CHAPTER 20. 1-Aminocyclopropane-1-Carboxylic Acid Oxidase. 2-oxoglutarate-dependent oxygenases RSC Metallobiology Series, 3., pp.425-437, 2015, ⟨10.1039/9781782621959-00425⟩. ⟨hal-02095042⟩