Strengths and Weaknesses of Docking Simulations in the SARS-CoV‑2 Era: the Main Protease (Mpro) Case Study
Llanos, Manuel A, Gantner, Melisa E, Rodriguez, Santiago, Alberca, Lucas N, Bellera, Carolina L, Talevi, Alan, Gavernet, Luciana
Published in Journal of chemical information and modeling (23.08.2021)
Published in Journal of chemical information and modeling (23.08.2021)
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Journal Article
In Silico Drug Repositioning for Chagas Disease
Bellera, Carolina L, Alberca, Lucas N, Sbaraglini, María L, Talevi, Alan
Published in Current medicinal chemistry (01.01.2020)
Published in Current medicinal chemistry (01.01.2020)
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Journal Article
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules
Prada Gori, Denis N., Llanos, Manuel A., Bellera, Carolina L., Talevi, Alan, Alberca, Lucas N.
Published in Journal of chemical information and modeling (27.06.2022)
Published in Journal of chemical information and modeling (27.06.2022)
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Journal Article
Neglected Tropical Protozoan Diseases: Drug Repositioning as a Rational Option
Sbaraglini, María Laura, Vanrell, María Cristina, Bellera, Carolina Leticia, Benaim, Gustavo, Carrillo, Carolina, Talevi, Alan, Romano, Patricia Silvia
Published in Current topics in medicinal chemistry (01.08.2016)
Published in Current topics in medicinal chemistry (01.08.2016)
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Journal Article
Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects
Bellera, Carolina L, Balcazar, Darío E, Alberca, Lucas, Labriola, Carlos A, Talevi, Alan, Carrillo, Carolina
Published in Journal of chemical information and modeling (23.09.2013)
Published in Journal of chemical information and modeling (23.09.2013)
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Journal Article
Computer-guided drug repurposing: Identification of trypanocidal activity of clofazimine, benidipine and saquinavir
Bellera, Carolina L., Balcazar, Darío E., Vanrell, M. Cristina, Casassa, A. Florencia, Palestro, Pablo H., Gavernet, Luciana, Labriola, Carlos A., Gálvez, Jorge, Bruno-Blanch, Luis E., Romano, Patricia S., Carrillo, Carolina, Talevi, Alan
Published in European journal of medicinal chemistry (26.03.2015)
Published in European journal of medicinal chemistry (26.03.2015)
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Journal Article
Novel cruzipain inhibitors for the chemotherapy of chronic Chagas disease
Sbaraglini, María L, Bellera, Carolina L, Fraccaroli, Laura, Larocca, Luciana, Carrillo, Carolina, Talevi, Alan, Soto, Catalina D. Alba
Published in International journal of antimicrobial agents (01.07.2016)
Published in International journal of antimicrobial agents (01.07.2016)
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Journal Article
High-throughput drug repositioning for the discovery of new treatments for Chagas disease
Bellera, Carolina L, Sbaraglini, Maria L, Balcazar, Dario E, Fraccaroli, Laura, Vanrell, M Cristina, Casassa, A Florencia, Labriola, Carlos A, Romano, Patricia S, Carrillo, Carolina, Talevi, Alan
Published in Mini reviews in medicinal chemistry (01.01.2015)
Published in Mini reviews in medicinal chemistry (01.01.2015)
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Journal Article
Ensemble learning application to discover new trypanothione synthetase inhibitors
Alice, Juan I., Bellera, Carolina L., Benítez, Diego, Comini, Marcelo A., Duchowicz, Pablo R., Talevi, Alan
Published in Molecular diversity (01.08.2021)
Published in Molecular diversity (01.08.2021)
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Journal Article
Combined therapy with Benznidazole and repurposed drugs Clofazimine and Benidipine for chronic Chagas disease
Sbaraglini, María L., Bellera, Carolina L., Quarroz Braghini, Juan, Areco, Yésica, Miranda, Cristian, Carrillo, Carolina, Kelly, Jazmín, Buchholz, Bruno, Gelpi, Ricardo J., Talevi, Alan, Alba Soto, Catalina D.
Published in European journal of medicinal chemistry (15.12.2019)
Published in European journal of medicinal chemistry (15.12.2019)
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Journal Article
The application of molecular topology for ulcerative colitis drug discovery
Bellera, Carolina L, Di Ianni, Mauricio E, Talevi, Alan
Published in Expert opinion on drug discovery (02.01.2018)
Published in Expert opinion on drug discovery (02.01.2018)
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Journal Article
Homology Modeling and Molecular Dynamics Simulations of Trypanosoma cruzi Phosphodiesterase b1
Llanos, Manuel A., Alberca, Lucas N., Larrea, Salomé C. Vilchez, Schoijet, Alejandra C., Alonso, Guillermo D., Bellera, Carolina L., Gavenet, Luciana, Talevi, Alan
Published in Chemistry & biodiversity (01.01.2022)
Published in Chemistry & biodiversity (01.01.2022)
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Journal Article
Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro
Ruatta, Santiago M, Prada Gori, Denis N, Fló Díaz, Martín, Lorenzelli, Franca, Perelmuter, Karen, Alberca, Lucas N, Bellera, Carolina L, Medeiros, Andrea, López, Gloria V, Ingold, Mariana, Porcal, Williams, Dibello, Estefanía, Ihnatenko, Irina, Kunick, Conrad, Incerti, Marcelo, Luzardo, Martín, Colobbio, Maximiliano, Ramos, Juan Carlos, Manta, Eduardo, Minini, Lucía, Lavaggi, María Laura, Hernández, Paola, Šarlauskas, Jonas, Huerta García, César Sebastian, Castillo, Rafael, Hernández-Campos, Alicia, Ribaudo, Giovanni, Zagotto, Giuseppe, Carlucci, Renzo, Medrán, Noelia S, Labadie, Guillermo R, Martinez-Amezaga, Maitena, Delpiccolo, Carina M L, Mata, Ernesto G, Scarone, Laura, Posada, Laura, Serra, Gloria, Calogeropoulou, Theodora, Prousis, Kyriakos, Detsi, Anastasia, Cabrera, Mauricio, Alvarez, Guzmán, Aicardo, Adrián, Araújo, Verena, Chavarría, Cecilia, Mašič, Lucija Peterlin, Gantner, Melisa E, Llanos, Manuel A, Rodríguez, Santiago, Gavernet, Luciana, Park, Soonju, Heo, Jinyeong, Lee, Honggun, Paul Park, Kyu-Ho, Bollati-Fogolín, Mariela, Pritsch, Otto, Shum, David, Talevi, Alan, Comini, Marcelo A
Published in Frontiers in pharmacology (22.06.2023)
Published in Frontiers in pharmacology (22.06.2023)
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Journal Article
Prediction of drug intestinal absorption by new linear and non-linear QSPR
Talevi, Alan, Goodarzi, Mohammad, Ortiz, Erlinda V., Duchowicz, Pablo R., Bellera, Carolina L., Pesce, Guido, Castro, Eduardo A., Bruno-Blanch, Luis E.
Published in European journal of medicinal chemistry (01.01.2011)
Published in European journal of medicinal chemistry (01.01.2011)
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Journal Article