Projects search

Multitarget, selective compound design yields picomolar inhibitors of a kinetoplastid pteridine reductase 1

Authors:

Ina Pöhner, 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 Santarem, Anabela Cordeiro-da-Silva, Maria Paola Costi, Alberto Venturelli, Rebecca C. Wade

Academic press:

Journal of Medicinal Chemistry (year: 2022, volume: 65, pages: 9011-9033), Publisher: American Chemical Society

Status:

Published

DOI:

10.1021/acs.jmedchem.2c00232 – link to the publication

Anti-trypanosomatid structure-based drug design–lessons learned from targeting the folate pathway

Authors:

Joanna Panecka-Hofman, Ina Poehner, Rebecca C. Wade

Academic press:

Expert Opinion on Drug Discovery (year: 2022, volume: 17(9), pages: 1029-1045), Publisher: Taylor and Francis Group

Status:

Published

DOI:

10.1080/17460441.2022.2113776 – link to the publication

Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism

Authors:

Dorota Kubacka, Mateusz Kozarski, Marek R Baranowski, Radoslaw Wojcik, Joanna Panecka-Hofman, Dominika Strzelecka, Jerome Basquin, Jacek Jemielity, Joanna Kowalska

Academic press:

Pharmaceuticals (year: 2022, volume: 15(5), pages: 554), Publisher: MDPI

Status:

Published

DOI:

10.3390/ph15050554 – link to the publication

An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration

Authors:

M. Tanvir Rahman, M. Kristian Koski, Joanna Panecka-Hofman, Werner Schmitz, Alexander J. Kastaniotis, Rebecca C. Wade, Rikkert K. Wierenga, J. Kalervo Hiltunen, Kaija J. Autio

Academic press:

Nature Communications (year: 2023, volume: 14, pages: 619), Publisher: Springer Nature

Status:

Published

DOI:

10.1038/s41467-023-36358-7 – link to the publication

Allostery in Its Many Disguises: From Theory to Applications

Authors:

Shoshana J Wodak, Emanuele Paci, 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, J Andrew McCammon, Joanna Panecka-Hofman, Rebecca C Wade, Antonella Di Pizio, Masha Y Niv, Ruth Nussinov, Chung-Jung Tsai, Hyunbum Jang, Dzmitry Padhorny, Dima Kozakov, Tom McLeish

Academic press:

Structure (year: 2019, volume: 27, pages: nd), Publisher: Elsevier

Status:

Published

DOI:

10.1016/j.str.2019.01.003 – link to the publication

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition

Authors:

Wiktoria Jedwabny, Joanna Panecka-Hofman, Edyta Dyguda-Kazimierowicz, Rebecca C. Wade, W. Andrzej Sokalski

Academic press:

Journal of Computer-Aided Molecular Design (year: 2017, volume: 31, pages: 715-728), Publisher: Springer International Publishing

Status:

Published

DOI:

10.1007/s10822-017-0035-4 – link to the publication

Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors

Authors:

Joanna Panecka-Hofman, Ina Pöhner, Francesca Spyrakis, Talia Zeppelin, Flavio Di Pisa, Lucia Dello Iacono, Alessio Bonucci, Antonio Quotadamo, Alberto Venturelli, Stefano Mangani, Maria Paola Costi, Rebecca C Wade

Academic press:

Biochimica et Biophysica Acta (BBA)-General Subjects (year: 2017, volume: 1861, pages: 3215-3230), Publisher: Elsevier

Status:

Published

DOI:

10.1016/j.bbagen.2017.09.012 – link to the publication

Hits and Lead Discovery in the Identification of New Drugs against the Trypanosomatidic Infections

Authors:

Theodora Calogeropoulou, George E Magoulas, Ina Pöhner, Joanna Panecka-Hofman, Pasquale Linciano, Stefania Ferrari, Nuno Santarem, Ma Dolores Jiménez-Antón, Ana Isabel Olías-Molero, José María Alunda, Anabela Cordeiro da Silva, Rebecca C Wade, Maria Paola Costi

Book:

Medicinal Chemistry of Neglected and Tropical Diseases: Advances in the Design and Synthesis of Antimicrobial Agents (year: 2019, volume: brak, pages: 185-231), Publisher: CRC Press, Taylor & Francis Group, Informa PLC

Status:

Published