Mechanistic and biological characterisation of novel N5-substituted paullones targeting the biosynthesis of trypanothione in Leishmania by Andrea Medeiros, Diego Benítez, Ricarda S. Korn, Vinicius C. Ferreira, Exequiel Barrera, Federico Carrión, Otto Pritsch, Sergio Pantano, Conrad Kunick, Camila I. de Oliveira, Oliver C. F. Orban, Marcelo A. Comini

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Drug-like molecules with anti-trypanothione synthetase activity identified by high throughput screening by Diego Benítez, Jaime Franco, Florencia Sardi, Alejandro Leyva, Rosario Durán, Gahee Choi, Gyongseon Yang, Taehee Kim, Namyoul Kim, Jinyeong Heo, Kideok Kim, Honggun Lee, Inhee Choi, Constantin Radu, David Shum, Joo Hwan No, Marcelo A. Comini

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Identification of Novel Chemical Scaffolds Inhibiting Trypanothione Synthetase from Pathogenic Trypanosomatids. by Diego Benítez, Andrea Medeiros, Lucía Fiestas, Esteban A Panozzo-Zenere, Franziska Maiwald, Kyriakos C Prousis, Marina Roussaki, Theodora Calogeropoulou, Anastasia Detsi, Timo Jaeger, Jonas Šarlauskas, Lucíja Peterlin Mašič, Conrad Kunick, Guillermo R Labadie, Leopold Flohé, Marcelo A Comini

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Drug repurposing screening validated by experimental assays identifies two clinical drugs targeting SARS-CoV-2 main protease by Denis N. Prada Gori, Santiago Ruatta, Santiago Ruatta, Martín Fló, Martín Fló, Lucas N. Alberca, Carolina L. Bellera, Soonju Park, Jinyeong Heo, Honggun Lee, Kyu-Ho Paul Park, Otto Pritsch, Otto Pritsch, David Shum, Marcelo A. Comini, Alan Talevi

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Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro by Santiago M. Ruatta, Santiago M. Ruatta, Denis N. Prada Gori, Martín Fló Díaz, Martín Fló Díaz, Franca Lorenzelli, Karen Perelmuter, Lucas N. Alberca, Lucas N. Alberca, Carolina L. Bellera, Carolina L. Bellera, Andrea Medeiros, Andrea Medeiros, Gloria V. López, Gloria V. López, Mariana Ingold, Williams Porcal, Williams Porcal, Estefanía Dibello, Irina Ihnatenko, Conrad Kunick, Marcelo Incerti, Martín Luzardo, Maximiliano Colobbio, Maximiliano Colobbio, Juan Carlos Ramos, Juan Carlos Ramos, Eduardo Manta, Eduardo Manta, Lucía Minini, María Laura Lavaggi, Paola Hernández, Jonas Šarlauskas, César Sebastian Huerta García, Rafael Castillo, Alicia Hernández-Campos, Giovanni Ribaudo, Giuseppe Zagotto, Renzo Carlucci, Noelia S. Medrán, Guillermo R. Labadie, Maitena Martinez-Amezaga, Carina M. L. Delpiccolo, Ernesto G. Mata, Laura Scarone, Laura Posada, Gloria Serra, Theodora Calogeropoulou, Kyriakos Prousis, Anastasia Detsi, Mauricio Cabrera, Guzmán Alvarez, Adrián Aicardo, Adrián Aicardo, Adrián Aicardo, Verena Araújo, Verena Araújo, Verena Araújo, Cecilia Chavarría, Cecilia Chavarría, Lucija Peterlin Mašič, Melisa E. Gantner, Melisa E. Gantner, Manuel A. Llanos, Manuel A. Llanos, Santiago Rodríguez, Luciana Gavernet, Luciana Gavernet, Soonju Park, Jinyeong Heo, Honggun Lee, Kyu-Ho Paul Park, Mariela Bollati-Fogolín, Otto Pritsch, Otto Pritsch, David Shum, Alan Talevi, Alan Talevi, Marcelo A. Comini

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