Research interest

Fragment based approaches in the lead discovery of GPCR and kinase targets. Chemical process development for small molecule active pharmaceutical ingredients. Synthesis and reaction mechanisms of heterocyclic organic compounds.

Current research projects

  • Computer-aided design and synthesis of novel Janus kinase (JAK) inhibitors.
  • Fragment-based drug design and synthesis for CNS (Central Nervous System) targets.
  • Fragment-based design and synthesis of covalently binding ligands against relevant drug targets.
  • Study of synthesis, reactivity, and ring transformations of heterocycles with zwitterionic structures.
  • Synthesis of new angularly and linearly fused heteroaromatic ring systems.
  • Studies on synthetic methods involving generation of nucleophilic carbene intermediates.
  • Synthesis of new intercalating agents and multi-drug-resistance-decreasing compounds.

Selected recent publications

Andrea Scarpino, Dávid Bajusz, Matic Proj, Martina Gobec, Izidor Sosič, Stanislav Gobec, György G. Ferenczy, György M. Keserű, Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening, Molecules201924 (14), 2590.

Christine Yueh, Terry Justin Rettenmaier, Bing Xia, David R Hall, Andrey Alekseenko, Kathryn A Porter, Krister Barkovich, Gyorgy M. Keseru, Adrian Whitty, James A. Wells, Sandor Vajda, Dima Kozakov, Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases, Journal of Medicinal Chemistry201962 (14), 6512-6524.

Amanda E. Wakefield, Jonathan S. Mason, Sandor Vajda, György M. Keserű, Analysis of tractable allosteric sites in G protein-coupled receptors, Scientific reports20199, 6180.

Moira Rachman, Andrea Scarpino, Dávid Bajusz, Gyula Pálfy, István Vida, András Perczel, Xavier Barril, György M Keserű, DUckCov: a Dynamic Undocking‐based Virtual Screening Protocol for Covalent BindersChemMedChem201914, 1011-1021. Cover Image

Aaron Keeley, Peter Abranyi-Balogh and George M Keserű, Design and characterization of a heterocyclic electrophilic fragment library for the discovery of cysteine-targeted covalent inhibitorsMedChemComm201910, 263-267.

Attila Egyed, Dávid Bajusz, György M.Keserű, The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitorsBioorganic and Medicinal Chemistry2019, 27 (8), 1497-1508.

Bence Szilágyi, Csilla Hargitai, Ádám A. Kelemen, Anita Rácz, György G. Ferenczy, Balázs Volk, and György M. Keserű, Synthesis and Biochemical Evaluation of Lid-Open D-Amino Acid Oxidase InhibitorsMolecules201924 (2), 290.

John A. Christopher, Zoltán Orgován, Miles Congreve, Andrew S. Doré, James C. Errey, Fiona H. Marshall, Jonathan S. Mason, Krzysztof Okrasa, Prakash Rucktooa, Maria J. Serrano-Vega, György G. Ferenczy, and György M. Keserű, Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray StructuresJournal of Medicinal Chemistry201962 (1), 207-222.

Péter Ábrányi-Balogh, László Petri, Tímea Imre, Péter Szijj, Andrea Scarpino, Martina Hrast, Ana Mitrović, Urša Pečar Fonovič, Krisztina Németh, Hélène Barreteau, David I. Roper, Kata Horváti, György G.Ferenczy, Janko Kos, Janez Ilaš, Stanislav Gobec, György M.Keserű, A road map for prioritizing warheads for cysteine targeting covalent inhibitorsEuropean Journal of Medicinal Chemistry2018160, 94-107.

Annika Frank, Dóra J. Kiss, György M. Keserű and Holger Stark, Binding kinetics of cariprazine and aripiprazole at the dopamine D3 receptorScientific Reports20188, 12509.

Jonas Boström, Dean G. Brown, Robert J. Young & György M. Keserű, Expanding the medicinal chemistry synthetic toolboxNature Reviews Drug Discovery201817, 709-727.

Zoltán Orgován, György G. Ferenczy, Thomas Steinbrecher, Bence Szilágyi, Dávid Bajusz, György M. Keserű, Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors, Journal of Computer-Aided Molecular Design, 201832 (2), 331-345.

Bettina Wingelhofer, Barbara Maurer, Elizabeth C. Heyes, Abbarna C. Cumaraswamy, Angelika Berger-Becvar, Elvin D. de Araujo, Anna Orlova, Patricia Freund, Frank Ruge, Jisung Park, Gary Tin, Siawash Ahmar, Charles-Hugues Lardeau, Irina Sadovnik, Dávid Bajusz, György Miklós Keserű, Florian Grebien, Stefan Kubicek, Peter Valent, Patrick T. Gunning and Richard Moriggl, Pharmacologic inhibition of STAT5 in acute myeloid leukemiaLeukemia201832, 1135-1146.

Glyn Williams, György G. Ferenczy, Johan Ulander, György M. Keserű, Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery, Drug Discovery Today, 2017, 22 (4), 681-689.

György M Keserű, Daniel Andrew Erlanson, György G Ferenczy, Michael M. Hann, Christopher W Murray, and Stephen D. Pickett, Design principles for fragment libraries – Maximizing the value of learnings from Pharma fragment based drug discovery (FBDD) programs for use in academia. Journal of Medicinal Chemistry, 201659 (18), 8189-8206.


Synthetic organic chemistry laboratory.

Equipment of Analytical Laboratory for Organic Chemistry (NMR, FT-IR, UV-Vis, GC-MS, HPLC-MS)

High performance computing cluster

International cooperations

University College London (covalent binders)
Free University of Brussels, Belgium (covalent binders)
University of Ljubljana (covalent binders)
Veterinary University of Vienna, Austria (STAT inhibitors)
Universitat de Barcelona, Spain (covalent binders)
Polish Academy of Sciences, Poland (GPCR ligands)
VU University Amsterdam, The Netherlands (GPCR ligands)
University of Florida, USA (Janus kinase inhibitors)
Heinrich-Heine-Universität Düsseldorf, Germany (GPCR ligands)
University of Lisbon, Portugal (multidrug resistance reversal).
University of Vienna, Austria (biologically active triazoles).
University of Reims, France (indole-based alkaloides).
University of Cordoba , Argentina (flash-vacuum pyrolisis of nitrogen-heterocycles).
University of Ankara, Turkey (benzthiazoles, benzoxazoles).

Educational activities

Lectures at Eötvös Loránd University in Budapest, Budapest of Technology and Economics and Debrecen University


Keserű György Miklós