Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni
de Souza Neto, Lauro Ribeiro, Montoya, Bogar Omar, Brandão-Neto, José, Verma, Anil, Bowyer, Sebastian, Moreira-Filho, José Teófilo, Dantas, Rafael Ferreira, Neves, Bruno Junior, Andrade, Carolina Horta, von Delft, Frank, Owens, Raymond J., Furnham, Nicholas, Silva-Jr, Floriano Paes
Published in Scientific reports (18.01.2024)
Published in Scientific reports (18.01.2024)
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Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika
Mottin, Melina, de Paula Sousa, Bruna Katiele, de Moraes Roso Mesquita, Nathalya Cristina, de Oliveira, Ketllyn Irene Zagato, Noske, Gabriela Dias, Sartori, Geraldo Rodrigues, de Oliveira Albuquerque, Aline, Urbina, Fabio, Puhl, Ana C., Moreira-Filho, José Teófilo, Souza, Guilherme E., Guido, Rafael V. C., Muratov, Eugene, Neves, Bruno Junior, Martins da Silva, João Hermínio, Clark, Alex E., Siqueira-Neto, Jair L., Perryman, Alexander L., Oliva, Glaucius, Ekins, Sean, Andrade, Carolina Horta
Published in Journal of chemical information and modeling (26.12.2022)
Published in Journal of chemical information and modeling (26.12.2022)
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Artificial intelligence-guided approach for efficient virtual screening of hits against Schistosoma mansoni
Moreira-Filho, José Teófilo, Neves, Bruno Junior, Cajas, Rayssa Araujo, Moraes, Josué de, Andrade, Carolina Horta
Published in Future medicinal chemistry (01.11.2023)
Published in Future medicinal chemistry (01.11.2023)
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Artificial intelligence systems for the design of magic shotgun drugs
Moreira-Filho, José Teófilo, da Silva, Meryck Felipe Brito, Borba, Joyce Villa Verde Bastos, Filho, Arlindo Rodrigues Galvão, Muratov, Eugene N, Andrade, Carolina Horta, Braga, Rodolpho de Campos, Neves, Bruno Junior
Published in Artificial intelligence in the life sciences (01.12.2023)
Published in Artificial intelligence in the life sciences (01.12.2023)
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Synthesis and molecular modelling studies of pyrimidinones and pyrrolo[3,4-d]-pyrimidinodiones as new antiplasmodial compounds
Rogerio, Kamilla Rodrigues, Carvalho, Leonardo J M, Domingues, Luiza Helena Pinto, Neves, Bruno Junior, Moreira Filho, José Teófilo, Castro, Rosane Nora, Bianco Júnior, Cesare, Daniel-Ribeiro, Claudio Tadeu, Andrade, Carolina Horta, Graebin, Cedric Stephan
Published in Memórias do Instituto Oswaldo Cruz (01.01.2018)
Published in Memórias do Instituto Oswaldo Cruz (01.01.2018)
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Journal Article
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
de Souza Neto, Lauro Ribeiro, Moreira-Filho, José Teófilo, Neves, Bruno Junior, Maidana, Rocío Lucía Beatriz Riveros, Guimarães, Ana Carolina Ramos, Furnham, Nicholas, Andrade, Carolina Horta, Silva, Jr, Floriano Paes
Published in Frontiers in chemistry (18.02.2020)
Published in Frontiers in chemistry (18.02.2020)
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Journal Article
QSAR-Based Virtual Screening of Natural Products Database for Identification of Potent Antimalarial Hits
Ferreira, Letícia Tiburcio, Borba, Joyce V B, Moreira-Filho, José Teófilo, Rimoldi, Aline, Andrade, Carolina Horta, Costa, Fabio Trindade Maranhão
Published in Biomolecules (Basel, Switzerland) (19.03.2021)
Published in Biomolecules (Basel, Switzerland) (19.03.2021)
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Journal Article
driven identification of novel molluscicides effective against (Say, 1818)
Santos, Daniela Braz dos, Moreira-Filho, José Teófilo, Melo, Amanda de Oliveira, Lemes, Josiel Araújo, Damacena Silva, Luciana, Rocha, Thiago Lopes, Andrade, Carolina Horta, Neves, Bruno Junior, Bezerra, José Clecildo Barreto
Published in New journal of chemistry (14.10.2020)
Published in New journal of chemistry (14.10.2020)
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Journal Article
Discovery of new Schistosoma mansoni aspartyl protease inhibitors by structure-based virtual screening
Gomes, Bárbara Figueira, Senger, Mario Roberto, Moreira-Filho, José Teófilo, Vasconcellos Junior, Fabio Jorge de, Dantas, Rafael Ferreira, Owens, Raymond, Andrade, Carolina Horta, Neves, Bruno Junior, Silva-Junior, Floriano Paes
Published in Memórias do Instituto Oswaldo Cruz (01.01.2023)
Published in Memórias do Instituto Oswaldo Cruz (01.01.2023)
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Multitask learning-driven identification of novel antitrypanosomal compounds
Lemos, Jade Milhomem, Brito da Silva, Meryck Felipe, dos Santos Carvalho, Alexandra Maria, Vicente Gil, Henric Pietro, Fiaia Costa, Vinícius Alexandre, Andrade, Carolina Horta, Braga, Rodolpho Campos, Grellier, Philippe, Muratov, Eugene N, Charneau, Sébastien, Moreira-Filho, José Teófilo, Dourado Bastos, Izabela Marques, Neves, Bruno Junior
Published in Future medicinal chemistry (01.08.2023)
Published in Future medicinal chemistry (01.08.2023)
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Journal Article
In silico -driven identification of novel molluscicides effective against Biomphalaria glabrata (Say, 1818)
Santos, Daniela Braz dos, Moreira-Filho, José Teófilo, Melo, Amanda de Oliveira, Lemes, Josiel Araújo, Damacena Silva, Luciana, Rocha, Thiago Lopes, Andrade, Carolina Horta, Neves, Bruno Junior, Bezerra, José Clecildo Barreto
Published in New journal of chemistry (21.10.2020)
Published in New journal of chemistry (21.10.2020)
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