J
Joanna Panecka-Hofman
Researcher at University of Warsaw
Publications - 8
Citations - 299
Joanna Panecka-Hofman is an academic researcher from University of Warsaw. The author has contributed to research in topics: Medicine & Chemistry. The author has an hindex of 4, co-authored 4 publications receiving 169 citations. Previous affiliations of Joanna Panecka-Hofman include Heidelberg Institute for Theoretical Studies.
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Journal ArticleDOI
Allostery in Its Many Disguises: From Theory to Applications
Shoshana J. Wodak,Emanuele Paci,Nikolay V. Dokholyan,Nikolay V. Dokholyan,Igor N. Berezovsky,Amnon Horovitz,Jing Li,Vincent J. Hilser,Ivet Bahar,John Karanicolas,Gerhard Stock,Peter Hamm,Roland H. Stote,Jerome Eberhardt,Yassmine Chebaro,Annick Dejaegere,Marco Cecchini,Jean-Pierre Changeux,Peter G. Bolhuis,Jocelyne Vreede,Pietro Faccioli,Simone Orioli,Riccardo Ravasio,Le Yan,Carolina Brito,Matthieu Wyart,Paraskevi Gkeka,Ivan Rivalta,Giulia Palermo,Giulia Palermo,J. Andrew McCammon,Joanna Panecka-Hofman,Rebecca C. Wade,Rebecca C. Wade,Antonella Di Pizio,Masha Y. Niv,Ruth Nussinov,Chung-Jung Tsai,Hyunbum Jang,Dzmitry Padhorny,Dima Kozakov,Tom McLeish +41 more
TL;DR: An overview of the progress and remaining limitations in the understanding of the mechanistic foundations of allostery gained from computational and experimental analyses of real protein systems and model systems is provided.
Journal ArticleDOI
Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors
Joanna Panecka-Hofman,Joanna Panecka-Hofman,Ina Pöhner,Francesca Spyrakis,Francesca Spyrakis,Talia Zeppelin,Flavio Di Pisa,Lucia Dello Iacono,Alessio Bonucci,Antonio Quotadamo,Alberto Venturelli,Stefano Mangani,Maria Paola Costi,Rebecca C. Wade,Rebecca C. Wade,Rebecca C. Wade +15 more
TL;DR: The ligand-based comparative computational mapping of protein binding pockets provides a basis for repurposing of anti-folates and the design of new anti-trypanosmatid agents.
Journal ArticleDOI
Accelerating Drug Discovery Efforts for Trypanosomatidic Infections Using an Integrated Transnational Academic Drug Discovery Platform.
Carolina B. Moraes,Gesa Witt,Maria Kuzikov,Bernhard Ellinger,Theodora Calogeropoulou,Kyriakos C. Prousis,Stefano Mangani,Flavio Di Pisa,G. Landi,Lucia Dello Iacono,Cecilia Pozzi,Lucio H. Freitas-Junior,Bruno dos Santos Pascoalino,Claudia Danielli Pereira Bertolacini,Birte Behrens,Oliver Keminer,Jennifer Leu,Markus Wolf,Jeanette Reinshagen,Anabela Cordeiro-da-Silva,Nuno Santarém,Alberto Venturelli,Stephen Wrigley,Deepa Karunakaran,Bethlehem Kebede,Ina Pöhner,Wolfgang Müller,Joanna Panecka-Hofman,Joanna Panecka-Hofman,Rebecca C. Wade,Rebecca C. Wade,Rebecca C. Wade,Martina Fenske,Joachim Clos,José María Alunda,María Jesús Corral,Elisa Uliassi,Maria Laura Bolognesi,Pasquale Linciano,Antonio Quotadamo,Stefania Ferrari,Matteo Santucci,Chiara Borsari,Maria Paola Costi,Sheraz Gul +44 more
TL;DR: A preclinical platform has led to the identification of lead-like compounds as well as validated hits in the trypanosomatidic drug discovery value chain.
Journal ArticleDOI
Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.
Wiktoria Jedwabny,Joanna Panecka-Hofman,Joanna Panecka-Hofman,Edyta Dyguda-Kazimierowicz,Rebecca C. Wade,Rebecca C. Wade,Rebecca C. Wade,W. Andrzej Sokalski +7 more
TL;DR: It is found that computed energies correlate well with inhibitory activity for a compound series with varying substituents targeting two subpockets of the binding site of Trypanosoma brucei pteridine reductase 1.
Journal ArticleDOI
Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1
Ina Poehner,Antonio Quotadamo,Joanna Panecka-Hofman,Rosaria Luciani,Matteo Santucci,Pasquale Linciano,Giacomo Landi,Flavio Di Pisa,Lucia Dello Iacono,Cecilia Pozzi,Stefano Mangani,Sheraz Gul,Gesa Witt,Bernhard Ellinger,Maria Kuzikov,Nuno Santarém,Anabela Cordeiro-da-Silva,M. Paola Costi,Alberto Venturelli,Rebecca C. Wade +19 more
TL;DR: This work presents a systematic, multidisciplinary approach to the development of selective antiparasitic compounds by combining design for polypharmacology with a property-based on-parasite optimization and expects it to be generally applicable to the design and optimization of anti-infective agents.