Medicinal Chemistry Research Group
Research Centre for Natural Sciences, Budapest

Recent publications

    2022

  1. Computational Medicinal Chemistry to Target GPCRs
    Dóra Judit Kiss, Gáspár Pándy-Szekeres, György Miklós Keserű
    In: Reference Module in Biomedical Sciences, Elsevier, 2022


  2. The Impact of the Secondary Binding Pocket on the Pharmacology of Class A GPCRs
    Attila Egyed, Dóra Judit Kiss, György M. Keserű
    Frontiers in Pharmacology, 2022, (in press)


  3. Extended continuous similarity indices: theory and application for QSAR descriptor selection
    Anita Rácz, Timothy B. Dunn, Dávid Bajusz, Taewon D. Kim, Ramón Alain Miranda-Quintana, Károly Héberger
    Journal of Computer-Aided Molecular Design, 2022, (in press)


  4. The Structure-Derived Mechanism of Box H/ACA Pseudouridine Synthase Offers a Plausible Paradigm for Programmable RNA Editing
    Dóra Judit Kiss, Julianna Oláh, Gergely Tóth, Máté Varga, András Stirling, Dóra K. Menyhárd, György G. Ferenczy
    ACS Catalysis, 2022, 12, 2756-2769.


  5. A covalent strategy to target intrinsically disordered proteins: Discovery of novel tau aggregation inhibitors
    László Petri, Péter Ábrányi-Balogh, Darius Vagrys, Tímea Imrea, Nikolett Varró, István Mándity, Anita Rácz, Lucia Wittner, Kinga Tóth, Estilla Zsófia Tóth, Tünde Juhász, Ben Davis, György Miklós Keserű
    European Journal of Medicinal Chemistry, 2022, 231, 114163.


  6. Designed Peptide Inhibitors of STEP Phosphatase–GluA2 AMPA Receptor Interaction Enhance the Cognitive Performance in Rats
    Horea Stefan Szedlacsek, Dávid Bajusz, Rodica Aura Badea, Andreea Pop, Constantin Cătălin Bică, Lilla Ravasz, Dániel Mittli, Dominik Mátyás, Georgiana Necula-Petrăreanu, Cristian V. A. Munteanu, Ildikó Papp, Gábor Juhász, Lucian Hritcu, György Miklós Keserű, Stefan Eugen Szedlacsek
    Journal of Medicinal Chemistry, 2022, 65 (1), 217-233.


  7. Consensus virtual screening identified [1,2,4]triazolo[1,5-b]isoquinolines as novel MELK inhibitor chemotypes
    Anita Rácz, Roberta Palkó, Dorottya Csányi, Zsuzsanna Riedl, Dávid Bajusz, György M. Keserű
    ChemMedChem, 2022, 17 (2), e202100569.


  8. The G protein database, GproteinDb
    Gáspár Pándy-Szekeres, Mauricio Esguerra, Alexander S Hauser, Jimmy Caroli, Christian Munk, Steven Pilger, György M Keserű, Albert J Kooistra, David E Gloriam
    Nucleic Acids Research, 2022, 50 (D1), D518-D525.


  9. 2021

  10. A Mechanistic Study on the Formation of Dronic Acids
    Péter Ábrányi-Balogh, István Greiner, György Keglevich
    Molecules, 2021, 26 (24), 7587.


  11. Fragment-Sized and Bidentate (Immuno)Proteasome Inhibitors Derived from Cysteine and Threonine Targeting Warheads
    Levente Kollár, Martina Gobec, Matic Proj, Lara Smrdel, Damijan Knez, Tímea Imre, Ágnes Gömöry, László Petri, Péter Ábrányi-Balogh, Dorottya Csányi, György G. Ferenczy, Stanislav Gobec, Izidor Sosič, György M. Keserű
    Cells, 2021, 10 (12), 3431.


  12. PharmacoSTORM nanoscale pharmacology reveals cariprazine binding on Islands of Calleja granule cells
    Susanne Prokop, Péter Ábrányi-Balogh, Benjámin Barti, Márton Vámosi, Miklós Zöldi, László Barna, Gabriella M. Urbán, András Dávid Tóth, Barna Dudok, Attila Egyed, Hui Deng, Gian Marco Leggio, László Hunyady, Mario van der Stelt, György M. Keserű , István Katona
    Nature Communications, 2021, 12, 6505.


  13. Natural Apocarotenoids and Their Synthetic Glycopeptide Conjugates Inhibit SARS-CoV-2 Replication
    Ilona Bereczki, Henrietta Papp, Anett Kuczmog, Mónika Madai, Veronika Nagy, Attila Agócs, Gyula Batta, Márton Milánkovits, Eszter Ostorházi, Ana Mitrović, Janko Kos, Áron Zsigmond, István Hajdú, Zsolt Lőrincz, Dávid Bajusz, György Miklós Keserű, Jan Hodek, Jan Weber, Ferenc Jakab, Pál Herczegh, Anikó Borbás
    Pharmaceuticals, 2021, 14 (11), 1111.


  14. Recent Advances in the Synthesis of Isothiocyanates Using Elemental Sulfur
    András Gy. Németh, Péter Ábrányi-Balogh
    Catalysts, 2021, 11 (9), 1081.


  15. Microwave-Assisted Ionic Liquid-Catalyzed Selective Monoesterification of Alkylphosphonic Acids—An Experimental and a Theoretical Study
    Nikoletta Harsági, Réka Henyecz, Péter Ábrányi-Balogh, László Drahos, György Keglevich
    Molecules, 2021, 26 (17), 5303.


  16. Mechanistic and thermodynamic characterization of oxathiazolones as potent and selective covalent immunoproteasome inhibitors
    Levente M. Mihalovits, György G. Ferenczy, György M. Keserű
    Computational and Structural Biotechnology Journal, 2021, 19, 4486-4496.


  17. Alcoholysis Versus Fission of the Ester Group During the Reaction of Dialkyl Phenylphosphonates in the Presence of Ionic Liquids
    Nikoletta Harsági, Csilla Bertha, Nóra Zsuzsa Kiss, Réka Henyecz, Petra Regina Varga, Péter Ábrányi-Balogh, László Drahos, György Keglevich
    Current Organic Chemistry, 2021, 25 (7), 842 - 848.


  18. Microwave-assisted esterification of P-acids
    Nikoletta Harsági, Nóra Zsuzsa Kiss, Péter Ábrányi-Balogh, György Keglevich
    Phosphorus, Sulfur, and Silicon and the Related Elements, 2021, (in press)


  19. Discovery of a Non-Nucleoside SETD2 Methyltransferase Inhibitor against Acute Myeloid Leukemia
    Dávid Bajusz, Zsolt Bognár, Jessica Ebner, Florian Grebien, György M. Keserű
    International Journal of Molecular Sciences, 2021, 22 (18), 10055.


  20. Mechanochemical synthesis of mononuclear gold(i) halide complexes of diphosphine ligands with tuneable luminescent properties
    Andrea Deák, Csaba Jobbágy, Attila Demeter, Ladislav Čelko, Jaroslav Cihlář, Pál T. Szabó, Péter Ábrányi-Balogh, Deborah E. Crawford, David Virieux, Evelina Colacino
    Dalton Transactions, 2021, 50, 13337-13344.


  21. Fragment evolution for GPCRs: the role of secondary binding sites in optimization
    Florent Chevillard, Adam Kelemen, Jillian Baker, Vivien A Aranyodi, Frank Balzer, Peter Kolb, György Miklós Keserű
    Chemical Communications, 2021, 57, 10516-10519.


  22. The role of quantum chemistry in covalent inhibitor design
    Levente M. Mihalovits, György G. Ferenczy, György M. Keserű
    International Journal of Quantum Chemistry, 2021, 122 (8), e26768.


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