Medicinal Chemistry Research Group
Research Centre for Natural Sciences, Budapest

Recent publications

  1. Pharmacologic inhibition of STAT5 in acute myeloid leukemia
    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
    Leukemia, 2018, (in press)


  2. Discovery of isatin and 1H-indazol-3-ol derivatives as D-amino acid oxidase (DAAO) inhibitors
    Bence Szilágyi, Péter Kovács, György G. Ferenczy, Anita Rácz, Krisztina Németh, Júlia Visy, Pál Szabó, Janez Ilas, György T. Balogh, Katalin Monostory, István Vincze, Tamás Tábi, Éva Szökő, György M. Keserű
    Bioorganic & Medicinal Chemistry, 2018, (in press)


  3. Chapter 12. Recent developments in the synthesis of new P-heterocycles
    Péter Ábrányi-Balogh
    In: Organophosphorus Chemistry: Novel Developments (ed. György Keglevich), De Gruyter, 2018, pp. 232-247.


  4. Binary similarity measures for fingerprint analysis of qualitative metabolomic profiles
    Anita Rácz, Filip Andrić, Dávid Bajusz, Károly Héberger
    Metabolomics, 2018, 14, 29.


  5. Practical synthesis of two novel series of 1,3-disubstituted β-carboline derivatives
    Péter Ábrányi-Balogh, Balázs Volk, Mátyás Milen
    Tetrahedron Letters, 2018, 59 (7), 617-619.


  6. 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
    Zoltán Orgován, György G. Ferenczy, Thomas Steinbrecher, Bence Szilágyi, Dávid Bajusz, György M. Keserű
    Journal of Computer-Aided Molecular Design, 2018, 32 (2), 331-345.


  7. Emerging therapeutic targets in myeloproliferative neoplasms and peripheral T-cell leukemia and lymphomas
    Anna Orlova, Bettina Wingelhofer, Heidi A. Neubauer, Barbara Maurer, Angelika Berger-Becvar, György Miklós Keserű, Patrick T. Gunning, Peter Valent, Richard Moriggl
    Expert Opinion on Therapeutic Targets, 2018, 22 (1), 45-57.


  8. Is soft independent modeling of class analogies a reasonable choice for supervised pattern recognition?
    Anita Rácz, Attila Gere, Dávid Bajusz, Károly Héberger
    RSC Advances, 2018, 8, 10-21.


  9. Computational Modeling of Drugs for Alzheimer’s Disease: Design of Serotonin 5-HT6 Antagonists
    Ádám A. Kelemen, Stefan Mordalski, Andrzej J. Bojarski, György M. Keserű
    In: Computational Modeling of Drugs Against Alzheimer’s Disease (ed. Kunal Roy), Neuromethods vol. 132, Humana Press, 2018, pp. 419-461.


  10. Spiro[pyrrolidine-3,3′-oxindoles] and Their Indoline Analogues as New 5-HT6 Receptor Chemotypes
    Ádám A. Kelemen, Grzegorz Satala, Andrzej J. Bojarski and György M. Keserű
    Molecules, 2017, 22 (12), 2221.


  11. Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
    Dávid Bajusz, Anita Rácz, Károly Héberger
    In: Comprehensive Medicinal Chemistry III (eds. Samuel Chackalamannil, David Rotella, Simon Ward), Elsevier, 2017, pp. 329-378.


  12. Which Performance Parameters Are Best Suited to Assess the Predictive Ability of Models?
    Károly Héberger, Anita Rácz, Dávid Bajusz
    In: Advances in QSAR Modeling (ed. Kunal Roy), Springer International Publishing, 2017, pp. 89-104.


  13. Applicability evaluation of advanced processes for elimination of neurophysiological activity of antidepressant fluoxetine
    László Szabó, Viktória Mile, Dóra J. Kiss, Krisztina Kovács, Tamás Földes, Tamás Németh, Tünde Tóth, Renáta Homlok, György T. Balogh, Erzsébet Takács, László Wojnárovits
    Chemosphere, 2017, 193, 489-497.


  14. What is the future for fragment-based drug discovery?
    György M Keserű, Michael M Hann
    Future Medicinal Chemistry, 2017, 9 (13), 1457-1460.


View earlier publications