Medicinal Chemistry Research Group
Research Centre for Natural Sciences, Budapest

Recent publications

    2019

  1. DUckCov: a Dynamic Undocking‐based Virtual Screening Protocol for Covalent Binders
    Moira Rachman, Andrea Scarpino, Dávid Bajusz, Gyula Pálfy, István Vida, András Perczel, Xavier Barril, György M Keserű
    ChemMedChem, 2019, (in press)


  2. Design and characterization of a heterocyclic electrophilic fragment library for the discovery of cysteine-targeted covalent inhibitors
    Aaron Keeley, Peter Abranyi-Balogh and George M Keserű
    MedChemComm, 2019, 10, 263-267.


  3. The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors
    Attila Egyed, Dávid Bajusz, György M.Keserű
    Bioorganic and Medicinal Chemistry, 2019, (in press)


  4. Synthesis and Biochemical Evaluation of Lid-Open D-Amino Acid Oxidase Inhibitors
    Bence Szilágyi, Csilla Hargitai, Ádám A. Kelemen, Anita Rácz, György G. Ferenczy, Balázs Volk, and György M. Keserű
    Molecules, 2019, 24 (2), 290.


  5. Fragment based optimization of metabotropic glutamate receptor-2 (mGluR2) positive allosteric modulators in the absence of structural information
    György Szabó, György István Túrós, Sándor Kolok, Mónika Vastag, Zsuzsanna Sánta, Miklós Dékány, György I. Lévay, István Greiner, Minami Natsumi, Watanabe Tatsuya, and Gyorgy M. Keseru
    Journal of Medicinal Chemistry, 2019, 62 (1), 234-246. Allosteric Modulators special issue.


  6. 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 Structures
    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
    Journal of Medicinal Chemistry, 2019, 62 (1), 207-222. Allosteric Modulators special issue.


  7. Synthetic procedure to pyrido[2,1-f][1,2,4]triazinium salt and related compounds
    Sándor Bátori, Dorottya Csányi, Daniella Takács, Orsolya Egyed, Zsuzsanna Riedl, György Hajós
    Tetrahedron, 2019, 75 (2), 180-185.


  8. 2018

  9. Heterocyclic electrophiles as new MurA inhibitors
    Aaron Keeley, Péter Ábrányi‐Balogh, Martina Hrast, Tímea Imre, Janez Ilaš, Stanislav Gobec, György M. Keserű
    Archiv der Pharmazie, 2018, 351, e1800184.


  10. Quantum chemical calculations support pseudouridine synthase reaction through a glycal intermediate and provide details of the mechanism
    Dóra J. Kiss, Julianna Oláh, Gergely Tóth, Dóra K. Menyhárd, György G. Ferenczy
    Theoretical Chemistry Accounts, 2018, 137, 162.


  11. Synthesis and fluorescent properties of boroisoquinolines, a new family of fluorophores
    Dénes Sóvári, Attila Kormos, Orsolya Demeter, András Dancsó, György Miklós Keserű, Mátyás Milen and Péter Ábrányi-Balogh
    RSC Advances, 2018, 8, 38598-38605.


  12. A road map for prioritizing warheads for cysteine targeting covalent inhibitors
    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
    European Journal of Medicinal Chemistry, 2018, 160, 94-107.


  13. Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints
    Anita Rácz, Dávid Bajusz and Károly Héberger
    Journal of Cheminformatics, 2018, 10, 48.


View earlier publications