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Open Access
Peer-reviewed
Research Article
Mapping the S1 and S1’ subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents
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Lorenzo Cianni,
Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Supervision, Writing – original draft, Writing – review & editing
Affiliations Medicinal Chemistry Group, Institute of Chemistry of São Carlos, University of São Paulo, São Carlos, São Paulo, Brazil, Pharmaceutical Institute, Pharmaceutical Chemistry I, University of Bonn, Bonn, Germany, Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Bonn, Germany, Department of Pharmaceutical/Medicinal Chemistry, Eberhard Karls University Tübingen, Tübingen, Germany
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Carina Lemke,
Roles Data curation, Formal analysis, Investigation, Methodology, Writing – review & editing
Affiliation Pharmaceutical Institute, Pharmaceutical Chemistry I, University of Bonn, Bonn, Germany
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Erik Gilberg,
Roles Data curation, Investigation, Methodology, Writing – review & editing
Affiliations Pharmaceutical Institute, Pharmaceutical Chemistry I, University of Bonn, Bonn, Germany, Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Bonn, Germany
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Christian Feldmann,
Roles Data curation, Investigation, Methodology, Writing – review & editing
Affiliation Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Bonn, Germany
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Fabiana Rosini,
Roles Formal analysis, Investigation, Methodology
Affiliation Medicinal Chemistry Group, Institute of Chemistry of São Carlos, University of São Paulo, São Carlos, São Paulo, Brazil
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Fernanda dos Reis Rocho,
Roles Investigation, Methodology, Visualization
Affiliation Medicinal Chemistry Group, Institute of Chemistry of São Carlos, University of São Paulo, São Carlos, São Paulo, Brazil
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Jean F. R. Ribeiro,
Roles Investigation, Methodology
Affiliation Medicinal Chemistry Group, Institute of Chemistry of São Carlos, University of São Paulo, São Carlos, São Paulo, Brazil
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Daiane Y. Tezuka,
Roles Data curation, Formal analysis, Investigation, Methodology, Writing – review & editing
Affiliations Medicinal Chemistry Group, Institute of Chemistry of São Carlos, University of São Paulo, São Carlos, São Paulo, Brazil, Ribeirão Preto School of Pharmaceutical Sciences, University of São Paulo, Ribeirão Preto, São Paulo, Brazil
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Carla D. Lopes,
Roles Data curation, Investigation, Methodology, Supervision, Writing – review & editing
Affiliation Department of Clinical Toxicological and Bromatological Analysis School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo (USP), Ribeirão Preto, São Paulo, Brazil
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Sérgio de Albuquerque,
Roles Funding acquisition, Resources, Supervision, Validation, Visualization
Affiliation Department of Clinical Toxicological and Bromatological Analysis School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo (USP), Ribeirão Preto, São Paulo, Brazil
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Jürgen Bajorath,
Roles Conceptualization, Data curation, Funding acquisition, Resources, Visualization, Writing – review & editing
Affiliation Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Bonn, Germany
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Stefan Laufer,
Roles Conceptualization, Funding acquisition, Project administration, Supervision, Visualization, Writing – review & editing
Affiliation Department of Pharmaceutical/Medicinal Chemistry, Eberhard Karls University Tübingen, Tübingen, Germany
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Andrei Leitão,
Roles Data curation, Supervision, Visualization, Writing – review & editing
Affiliation Medicinal Chemistry Group, Institute of Chemistry of São Carlos, University of São Paulo, São Carlos, São Paulo, Brazil
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Michael Gütschow ,
Roles Conceptualization, Data curation, Funding acquisition, Project administration, Resources, Visualization, Writing – review & editing
* E-mail: guetschow@uni-bonn.de (MG); carlos.montanari@usp.br (CAM)
Affiliation Pharmaceutical Institute, Pharmaceutical Chemistry I, University of Bonn, Bonn, Germany
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Carlos A. Montanari
Roles Conceptualization, Data curation, Project administration, Resources, Supervision, Visualization, Writing – review & editing
* E-mail: guetschow@uni-bonn.de (MG); carlos.montanari@usp.br (CAM)
Affiliation Medicinal Chemistry Group, Institute of Chemistry of São Carlos, University of São Paulo, São Carlos, São Paulo, Brazil
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Mapping the S1 and S1’ subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents
- Lorenzo Cianni,
- Carina Lemke,
- Erik Gilberg,
- Christian Feldmann,
- Fabiana Rosini,
- Fernanda dos Reis Rocho,
- Jean F. R. Ribeiro,
- Daiane Y. Tezuka,
- Carla D. Lopes,
- Sérgio de Albuquerque
- Published: March 12, 2020
- https://doi.org/10.1371/journal.pntd.0007755