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Artigo de periodico
Differential specificity of SARS-CoV-2 main protease variants on peptide versus protein-based substrates (2024)
Rocho, Fernanda dos Reis ; Snipas, Scott J.; Shamim, Anwar ; Rut, Wioletta; Drag, Marcin; Montanari, Carlos Alberto
Source: The FEBS Journal. Unidade: IQSC
Subjects: COVID-19, PEPTÍDEOS, PROTEÍNAS
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ABNT
ROCHO, Fernanda dos Reis et al. Differential specificity of SARS-CoV-2 main protease variants on peptide versus protein-based substrates. The FEBS Journal, v. 291, n. 1, p. 61–69, 2024Tradução . . Disponível em: https://doi.org/10.1111/febs.16970. Acesso em: 03 out. 2024.
APA
Rocho, F. dos R., Snipas, S. J., Shamim, A., Rut, W., Drag, M., & Montanari, C. A. (2024). Differential specificity of SARS-CoV-2 main protease variants on peptide versus protein-based substrates. The FEBS Journal, 291( 1), 61–69. doi:10.1111/febs.16970
NLM
Rocho F dos R, Snipas SJ, Shamim A, Rut W, Drag M, Montanari CA. Differential specificity of SARS-CoV-2 main protease variants on peptide versus protein-based substrates [Internet]. The FEBS Journal. 2024 ; 291( 1): 61–69.[citado 2024 out. 03 ] Available from: https://doi.org/10.1111/febs.16970
Vancouver
Rocho F dos R, Snipas SJ, Shamim A, Rut W, Drag M, Montanari CA. Differential specificity of SARS-CoV-2 main protease variants on peptide versus protein-based substrates [Internet]. The FEBS Journal. 2024 ; 291( 1): 61–69.[citado 2024 out. 03 ] Available from: https://doi.org/10.1111/febs.16970
Artigo de periodico
Novel selective proline-based peptidomimetics for human cathepsin K inhibition (2024)
Martins, Felipe Cardoso Prado ; Rocho, Fernanda dos Reis ; Bonatto, Vinícius ; Batista, Pedro Henrique Jatai ; Lameira, Jerônimo ; Leitão, Andrei ; Montanari, Carlos Alberto
Source: Bioorganic & Medicinal Chemistry Letters. Unidade: IQSC
Subjects: INIBIDORES QUÍMICOS, OSTEOPOROSE
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ABNT
MARTINS, Felipe Cardoso Prado et al. Novel selective proline-based peptidomimetics for human cathepsin K inhibition. Bioorganic & Medicinal Chemistry Letters, v. 110, p. 129887, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.bmcl.2024.129887. Acesso em: 03 out. 2024.
APA
Martins, F. C. P., Rocho, F. dos R., Bonatto, V., Batista, P. H. J., Lameira, J., Leitão, A., & Montanari, C. A. (2024). Novel selective proline-based peptidomimetics for human cathepsin K inhibition. Bioorganic & Medicinal Chemistry Letters, 110, 129887. doi:10.1016/j.bmcl.2024.129887
NLM
Martins FCP, Rocho F dos R, Bonatto V, Batista PHJ, Lameira J, Leitão A, Montanari CA. Novel selective proline-based peptidomimetics for human cathepsin K inhibition [Internet]. Bioorganic & Medicinal Chemistry Letters. 2024 ;110 129887.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmcl.2024.129887
Vancouver
Martins FCP, Rocho F dos R, Bonatto V, Batista PHJ, Lameira J, Leitão A, Montanari CA. Novel selective proline-based peptidomimetics for human cathepsin K inhibition [Internet]. Bioorganic & Medicinal Chemistry Letters. 2024 ;110 129887.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmcl.2024.129887
Trabalho de evento-resumo
Investigating the lack of cruzain to Trypanosoma cruzi activity with chemical space analyses and machine learning (2023)
Lameiro, Rafael da Fonseca ; Montanari, Carlos Alberto
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQSC
Subjects: DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI
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ABNT
LAMEIRO, Rafael da Fonseca e MONTANARI, Carlos Alberto. Investigating the lack of cruzain to Trypanosoma cruzi activity with chemical space analyses and machine learning. 2023, Anais.. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo, 2023. Disponível em: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/110_1675185015.pdf. Acesso em: 03 out. 2024.
APA
Lameiro, R. da F., & Montanari, C. A. (2023). Investigating the lack of cruzain to Trypanosoma cruzi activity with chemical space analyses and machine learning. In Anais. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/110_1675185015.pdf
NLM
Lameiro R da F, Montanari CA. Investigating the lack of cruzain to Trypanosoma cruzi activity with chemical space analyses and machine learning [Internet]. Anais. 2023 ;[citado 2024 out. 03 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/110_1675185015.pdf
Vancouver
Lameiro R da F, Montanari CA. Investigating the lack of cruzain to Trypanosoma cruzi activity with chemical space analyses and machine learning [Internet]. Anais. 2023 ;[citado 2024 out. 03 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/110_1675185015.pdf
Artigo de periodico
Investigating the lack of translation from cruzain inhibition to Trypanosoma cruzi activity with machine learning and chemical space analyses (2023)
Lameiro, Rafael da Fonseca ; Montanari, Carlos Alberto
Source: ChemMedChem: chemistry enabling drug discovery. Unidade: IQSC
Subjects: QUÍMICA FARMACÊUTICA, DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI
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ABNT
LAMEIRO, Rafael da Fonseca e MONTANARI, Carlos Alberto. Investigating the lack of translation from cruzain inhibition to Trypanosoma cruzi activity with machine learning and chemical space analyses. ChemMedChem: chemistry enabling drug discovery, p. 1-12, 2023Tradução . . Disponível em: https://doi.org/10.1002/cmdc.202200434. Acesso em: 03 out. 2024.
APA
Lameiro, R. da F., & Montanari, C. A. (2023). Investigating the lack of translation from cruzain inhibition to Trypanosoma cruzi activity with machine learning and chemical space analyses. ChemMedChem: chemistry enabling drug discovery, 1-12. doi:10.1002/cmdc.202200434
NLM
Lameiro R da F, Montanari CA. Investigating the lack of translation from cruzain inhibition to Trypanosoma cruzi activity with machine learning and chemical space analyses [Internet]. ChemMedChem: chemistry enabling drug discovery. 2023 ; 1-12.[citado 2024 out. 03 ] Available from: https://doi.org/10.1002/cmdc.202200434
Vancouver
Lameiro R da F, Montanari CA. Investigating the lack of translation from cruzain inhibition to Trypanosoma cruzi activity with machine learning and chemical space analyses [Internet]. ChemMedChem: chemistry enabling drug discovery. 2023 ; 1-12.[citado 2024 out. 03 ] Available from: https://doi.org/10.1002/cmdc.202200434
Artigo de periodico
Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces (2022)
Santos, Alberto M. Dos; Oliveira, Amanda Ruslana Santana; Costa, Clauber H. S. da; Kenny, Peter W.; Montanari, Carlos Alberto ; Varela Júnior, Jaldyr de Jesus G.; Lameira, Jerônimo
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Subjects: AMINOÁCIDOS, MECÂNICA QUÂNTICA, ENERGIA
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ABNT
SANTOS, Alberto M. Dos et al. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, v. 62, p. 4083-4094, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00466. Acesso em: 03 out. 2024.
APA
Santos, A. M. D., Oliveira, A. R. S., Costa, C. H. S. da, Kenny, P. W., Montanari, C. A., Varela Júnior, J. de J. G., & Lameira, J. (2022). Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, 62, 4083-4094. doi:10.1021/acs.jcim.2c00466
NLM
Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466
Vancouver
Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466
Trabalho de evento-resumo
Putative in silico binding modes of nitrile-based peptoids as cysteine protease inhibitors (2022)
Matos, Thiago Kelvin Brito ; Alves, Luana; Santos, Deborah Araujo dos; Cendron, Rodrigo; Rocho, Fernanda dos Reis ; Montanari, Carlos Alberto ; Leitão, Andrei
Source: Pôster. Conference titles: Reunião Anual da Sociedade Brasileira de Quimica - RASBQ. Unidades: IQSC, FZEA
Subjects: INIBIÇÃO, ACOPLAGEM
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ABNT
MATOS, Thiago Kelvin Brito et al. Putative in silico binding modes of nitrile-based peptoids as cysteine protease inhibitors. 2022, Anais.. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo, 2022. Disponível em: https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/806_1647372714.pdf. Acesso em: 03 out. 2024.
APA
Matos, T. K. B., Alves, L., Santos, D. A. dos, Cendron, R., Rocho, F. dos R., Montanari, C. A., & Leitão, A. (2022). Putative in silico binding modes of nitrile-based peptoids as cysteine protease inhibitors. In Pôster. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/806_1647372714.pdf
NLM
Matos TKB, Alves L, Santos DA dos, Cendron R, Rocho F dos R, Montanari CA, Leitão A. Putative in silico binding modes of nitrile-based peptoids as cysteine protease inhibitors [Internet]. Pôster. 2022 ;[citado 2024 out. 03 ] Available from: https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/806_1647372714.pdf
Vancouver
Matos TKB, Alves L, Santos DA dos, Cendron R, Rocho F dos R, Montanari CA, Leitão A. Putative in silico binding modes of nitrile-based peptoids as cysteine protease inhibitors [Internet]. Pôster. 2022 ;[citado 2024 out. 03 ] Available from: https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/806_1647372714.pdf
Artigo de periodico
Structural, thermodynamic and functional studies of human 71 kDa heat shock cognate protein (HSPA8/hHsc70) (2021)
Silva, Noeli Soares Melo da ; Rodrigues, Luiz Fernando de Camargo ; Silva, Paulo Roberto Dores ; Montanari, Carlos Alberto ; Ramos, Carlos Henrique Inacio; Barbosa, Leandro Ramos Souza ; Borges, Julio Cesar
Source: Biochimica et Biophysica Acta - Proteins and Proteomics. Unidades: IQSC, IF, FM
Subjects: BIOQUÍMICA, PROTEÍNAS
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ABNT
SILVA, Noeli Soares Melo da et al. Structural, thermodynamic and functional studies of human 71 kDa heat shock cognate protein (HSPA8/hHsc70). Biochimica et Biophysica Acta - Proteins and Proteomics, v. 1869, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.bbapap.2021.140719. Acesso em: 03 out. 2024.
APA
Silva, N. S. M. da, Rodrigues, L. F. de C., Silva, P. R. D., Montanari, C. A., Ramos, C. H. I., Barbosa, L. R. S., & Borges, J. C. (2021). Structural, thermodynamic and functional studies of human 71 kDa heat shock cognate protein (HSPA8/hHsc70). Biochimica et Biophysica Acta - Proteins and Proteomics, 1869. doi:10.1016/j.bbapap.2021.140719
NLM
Silva NSM da, Rodrigues LF de C, Silva PRD, Montanari CA, Ramos CHI, Barbosa LRS, Borges JC. Structural, thermodynamic and functional studies of human 71 kDa heat shock cognate protein (HSPA8/hHsc70) [Internet]. Biochimica et Biophysica Acta - Proteins and Proteomics. 2021 ; 1869[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bbapap.2021.140719
Vancouver
Silva NSM da, Rodrigues LF de C, Silva PRD, Montanari CA, Ramos CHI, Barbosa LRS, Borges JC. Structural, thermodynamic and functional studies of human 71 kDa heat shock cognate protein (HSPA8/hHsc70) [Internet]. Biochimica et Biophysica Acta - Proteins and Proteomics. 2021 ; 1869[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bbapap.2021.140719
Artigo de periodico
Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations (2021)
Bonatto, Vinícius ; Shamim, Anwar ; Rocho, Fernanda dos Reis ; Leitão, Andrei ; Luque, F. Javier; Montanari, Carlos Alberto
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Subjects: MEDICAMENTO, ENZIMAS
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ABNT
BONATTO, Vinícius et al. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. Journal of Chemical Information and Modeling, v. 61, p. 4733−4744, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c00515. Acesso em: 03 out. 2024.
APA
Bonatto, V., Shamim, A., Rocho, F. dos R., Leitão, A., Luque, F. J., & Montanari, C. A. (2021). Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. Journal of Chemical Information and Modeling, 61, 4733−4744. doi:10.1021/acs.jcim.1c00515
NLM
Bonatto V, Shamim A, Rocho F dos R, Leitão A, Luque FJ, Montanari CA. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 4733−4744.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515
Vancouver
Bonatto V, Shamim A, Rocho F dos R, Leitão A, Luque FJ, Montanari CA. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 4733−4744.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515

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