Assistant Professor

Tel: (+302610) 9976023

e-mail:

Web Page: http://www.chem.upatras.gr/faculty/simal

List of Publications:

• Google Scholar
• ORCID

Contact hours: Wednesdays and Fridays 11:00-13:00

Curriculum Vitae

Research Trajectory / Education

2023-present: Assistant Professor of Organic Chemistry, Division A - Organic Chemistry, Biochemistry and Natural Products. Department of Chemistry, University of Patras, Greece.

2022-2023: Postdoctoral Researcher, Laboratory of Pharmacognosy and Chemistry of Natural Products (LPCNP), Department of Pharmacy, University of Patras, Greece. https://www.pharmacy.upatras.gr/

2020-2022: Postdoctoral Researcher, Nanotechnology and Advanced Materials Laboratory (NAML), Electrical and Computer Engineering Department, University of Peloponnese, Greece. http://naml.ece.uop.gr/naml/

2017-2018: M.Sc. in ‘Teacher Training for Compulsory Secondary Education and Baccalaureate, Professional Training, and Language Teaching’, International University of La Rioja, Spain.

2015-2017: Marie Curie-CLARIN Postdoctoral Fellow [Marie Sklodowska-Curie Actions (MSCA)], Division A - Organic Chemistry, Biochemistry and Natural Products. Department of Chemistry, University of Patras, Greece. http://www.chem.upatras.gr/faculty/tselios

2012-2015: Postdoctoral Fellow JAE-doc, Institute of General Organic Chemistry-Spanish National Research Council (IQOG-CSIC), Madrid, Spain. http://www.iqog.csic.es/personal-www/AsymmetricSynthesiswithSulfur

2010-2012: Marie Curie Postdoctoral Fellow [Intra-European Fellowship (IEF)], School of Chemistry and Centre for Biomolecular Sciences, University of St Andrews, UK. https://ads-group.squarespace.com/

2009-2010: Postdoctoral Researcher (funded by Cancer Research UK), Laboratory of Medicinal Chemistry, Chemistry Research Laboratory (CRL), University of Oxford, UK. http://russell.chem.ox.ac.uk/

2009: Ph.D. (Organic Chemistry), Organic and Inorganic Chemistry Department, Faculty of Chemistry, University of Oviedo, Spain. https://dptoqoi.uniovi.es/investigacion/sintesisorganica

2009: Visiting postgraduate research student, Chemistry Research Laboratory (CRL), University of Oxford, UK (3 months).

2008: Visiting postgraduate research student, Department of Chemistry, National and Kapodistrian University of Athens, Greece (3 months).

2007: Visiting postgraduate research student, School of Chemistry and Centre for Biomolecular Sciences, University of St Andrews, UK (3 months).

2006: M.Sc. in ‘Organometallic Chemistry’, Organic and Inorganic Chemistry Department, Faculty of Chemistry, University of Oviedo, Spain.

2006: Visiting postgraduate research student, School of Chemistry, Bristol, UK (3 months).

2004: B.Sc. in Chemistry, Faculty of Chemistry, University of Oviedo, Spain.

Fellowships / Distinctions

2014:    Postdoctoral Fellowship Marie Curie CLARÍN-COFUND (Outgoing Grant, ref. ACA14-24) awarded by the European Commission and FICYT (Foundation for the Promotion of Applied Scientific Research and Technology in Asturias, Spain).

2012:    Postdoctoral Fellowship JAE-doc2010 (ref. JAEDOC100) awarded by the Ministry of Science and Innovation, Spain.

2010:    Annual Prize for Excellent Doctoral Thesis (PhD Cum Laude) awarded by the University of Oviedo (Spain).

2010:    Postdoctoral Marie Curie Intra-European Fellowship FP7-PEOPLE-2009-IEF (ref. PIEF-GA-2009-253604) awarded by the European Commission.

2005:    Predoctoral Fellowship FPI (ref. BES-2005-9084 / CTQ2004-01191) awarded by the Ministry of Education and Science, Spain.

2004:    Undergraduate Internship Scholarship awarded by the University of Oviedo (Spain) for a 3-month internship in ASTURPHARMA S.A. (Asturias, Spain).

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Courses

Undergraduate

• “Structure and Activity in Organic Chemistry”
• “Chemistry of Heterocyclic Compounds and Biomolecules”
• “Spectroscopy of Organic Compounds-Experimental Organic Chemistry I”
• “Experimental Organic Chemistry II” 
• "Laboratory of Organic Chemistry for Biologists"

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Research Activities

• Design, synthesis, and evaluation of non-peptide mimetics and peptide conjugates associated with cancer and autoimmune diseases.
• Structure Activity Relationship (SAR) Studies of bioactive molecules.
• Rational design and synthesis of targeted inhibitors of cancer-related serine/threonine kinases.
• Stereoselective transformations of natural-based compounds with potential biological activity.

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Representative Publications

• “Rational Design, Synthesis and Binding Affinity Studies of Anthraquinone Derivatives Conjugated to Gonadotropin-Releasing Hormone (GnRH) Analogues towards Selective Immunosuppression of Hormone-Dependent Cancer” G. Biniari, C. Markatos, A. Nteli, H. Tzoupis, C. Simal, A. Vlamis-Gardikas, V. Karageorgos, I. Pirmettis, P. Petrou, M. Venihaki, G. Liapakis, Theodore Tselios Int. J. Mol. Sci. 2023, 24(20), 15232. https://doi.org/10.3390/ijms242015232

• “Design, Synthesis and evaluation of an anthraquinone derivative conjugated to myelin basic protein immunodominant (MBP 85-99) epitope: Towards selective immunosuppression” A. Tapeinou, E. Giannopoulou, C. Simal, B.E. Hansen, H. Kalofonos, V. Apostolopoulos, A. Vlamis-Gardikas, T. Tselios Eur. J. Med. Chem. 2018, 143, 621-631. https://doi.org/10.1016/j.ejmech.2017.11.063

• Design and Synthesis of Non-Peptide Mimetics Mapping the Immunodominant Myelin Basic Protein (MBP83-96) Epitope to Function as T-Cell Receptor Antagonists” M.-P. Yannakakis, C. Simal, H. Tzoupis, M. Rodi, N. Dargahi, M. Prakash, A. Mouzaki, J. A. Platts, V. Apostolopoulos T. Tselios Int. J. Mol. Sci. 2017 18(6), 1215. https://doi.org/10.3390/ijms18061215

•  “Molecular dynamics at the receptor level of immunodominant myelin oligodendrocyte glycoprotein 35–55 epitope implicated in multiple sclerosis” M.-P. Yannakakis, H. Tzoupis, E. Michailidou, E. Mantzourani, C. Simal, T. Tselios J. Mol. Graph. Model. 2016, 68, 78-86. https://doi.org/10.1016/j.jmgm.2016.06.005

• “Synthesis of Enantiopure 3-Hydroxypiperidines from Sulfinyl Dienyl Amines by Diastereoselective Intramolecular Cyclization and [2,3]-Sigmatropic Rearrangement” C. Simal, R.H. Bates, M. Ureña, I. Giménez, C. Koutsou, L. Infantes, R. Fernández de la Pradilla, A. Viso J. Org. Chem. 2015, 80, 7674-7692. https://doi.org/10.1021/acs.joc.5b01307

• “Anhydrides as α,β-Unsaturated Acyl Ammonium Precursors: Isothiourea-promoted Catalytic Asymmetric Annulation Processes” E.R.T. Robinson, C. Fallan, C. Simal, A.M.Z. Slawin, A.D. Smith Chem. Sci. 2013, 4, 2193-2200. https://doi.org/10.1039/C3SC50199J

• “Dihydropyridones: Catalytic Asymmetric Synthesis, N- to C-Sulfonyl Transfer, and Derivatizations” C. Simal, T. Lebl, A.M.Z. Slawin, A.D. Smith Angew. Int. Ed. 2012, 51, 3653-3657 (Synfacts 2012, 8, 0558). https://doi.org/10.1002/anie.201109061

• “Organocatalytic Functionalization of Carboxylic acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations” D. Belmessieri, L.C. Morrill, C. Simal, A.M.Z. Slawin, A.D. Smith J. Am. Chem. Soc. 2011, 133, 2714-2720 (Synfacts 2011, 4, 0436). https://doi.org/10.1021/ja109975c

• “Isothiourea-Catalysed Enantioselective Carboxyl Group Transfer” C. Joannesse, C.P. Johnston, C. Concellón, C. Simal, D. Philp, A.D. Smith Angew. Chem. Int. Ed. 2009, 48, 8914-8918 (Synfacts 2010, 1, 0109). https://doi.org/10.1002/anie.200904333

• “The Use of Samarium Enolates, a Novel Alternative in the Addition Reactions to Imines. Synthesis of 3-Aminoesters, Amides and Enantiopure 3,4-Diaminoester” J.M. Concellón, H. Rodríguez-Solla and C. Simal Adv. Synth. Catal. 2009, 351, 1238-1242 (Synfacts 2009, 9, 1013). https://doi.org/10.1002/adsc.200900189