Filtros : "Indexado na Web of Science" "MONTANARI, CARLOS ALBERTO" Limpar

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  • Unidade: IQSC

    Assuntos: QUÍMICA MÉDICA, BIOQUÍMICA, BIOLOGIA MOLECULAR

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      Chemical Biology & Drug Design. . Hoboken: Instituto de Química de São Carlos, Universidade de São Paulo. Disponível em: https://repositorio.usp.br/directbitstream/6687947d-3b6e-4797-a537-7bd185a1ada7/P21727.pdf. Acesso em: 08 out. 2025. , 2025
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      Chemical Biology & Drug Design. (2025). Chemical Biology & Drug Design. Hoboken: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/6687947d-3b6e-4797-a537-7bd185a1ada7/P21727.pdf
    • NLM

      Chemical Biology & Drug Design [Internet]. 2025 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/6687947d-3b6e-4797-a537-7bd185a1ada7/P21727.pdf
    • Vancouver

      Chemical Biology & Drug Design [Internet]. 2025 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/6687947d-3b6e-4797-a537-7bd185a1ada7/P21727.pdf
  • Fonte: Protein Science. Unidade: IQSC

    Assuntos: TRYPANOSOMA CRUZI, DOENÇA DE CHAGAS

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      COSTA, Clauber H. S. da et al. Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease. Protein Science, v. 34, p. e70283, 2025Tradução . . Disponível em: https://doi.org/10.1002/pro.70283. Acesso em: 08 out. 2025.
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      Costa, C. H. S. da, Bonatto, V., Santos, H. B. T., Souza, C. G. da S. de, Montanari, C. A., Skaf, M. S., et al. (2025). Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease. Protein Science, 34, e70283. doi:10.1002/pro.70283
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      Costa CHS da, Bonatto V, Santos HBT, Souza CG da S de, Montanari CA, Skaf MS, Luque FJ, Lameira J. Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease [Internet]. Protein Science. 2025 ; 34e70283.[citado 2025 out. 08 ] Available from: https://doi.org/10.1002/pro.70283
    • Vancouver

      Costa CHS da, Bonatto V, Santos HBT, Souza CG da S de, Montanari CA, Skaf MS, Luque FJ, Lameira J. Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease [Internet]. Protein Science. 2025 ; 34e70283.[citado 2025 out. 08 ] Available from: https://doi.org/10.1002/pro.70283
  • Fonte: The FEBS Journal. Unidade: IQSC

    Assuntos: COVID-19, PEPTÍDEOS, PROTEÍNAS

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      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: 08 out. 2025.
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      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
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      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 2025 out. 08 ] 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 2025 out. 08 ] Available from: https://doi.org/10.1111/febs.16970
  • Fonte: Bioorganic & Medicinal Chemistry Letters. Unidade: IQSC

    Assuntos: INIBIDORES QUÍMICOS, OSTEOPOROSE

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      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: 08 out. 2025.
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      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
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      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 2025 out. 08 ] 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 2025 out. 08 ] Available from: https://doi.org/10.1016/j.bmcl.2024.129887
  • Fonte: Chemical Biology & Drug Design. Unidade: IQSC

    Assuntos: BIOQUÍMICA, BIOLOGIA

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      Chemical Biology & Drug Design. Chemical Biology & Drug Design. Hoboken: Instituto de Química de São Carlos, Universidade de São Paulo. Disponível em: https://onlinelibrary.wiley.com/page/journal/17470285/homepage/editorialboard.html. Acesso em: 08 out. 2025. , 2024
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      Chemical Biology & Drug Design. (2024). Chemical Biology & Drug Design. Chemical Biology & Drug Design. Hoboken: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://onlinelibrary.wiley.com/page/journal/17470285/homepage/editorialboard.html
    • NLM

      Chemical Biology & Drug Design [Internet]. Chemical Biology & Drug Design. 2024 ;[citado 2025 out. 08 ] Available from: https://onlinelibrary.wiley.com/page/journal/17470285/homepage/editorialboard.html
    • Vancouver

      Chemical Biology & Drug Design [Internet]. Chemical Biology & Drug Design. 2024 ;[citado 2025 out. 08 ] Available from: https://onlinelibrary.wiley.com/page/journal/17470285/homepage/editorialboard.html
  • Fonte: ChemMedChem: chemistry enabling drug discovery. Unidade: IQSC

    Assuntos: QUÍMICA FARMACÊUTICA, DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI

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      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: 08 out. 2025.
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      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
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      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 2025 out. 08 ] 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 2025 out. 08 ] Available from: https://doi.org/10.1002/cmdc.202200434
  • Fonte: RSC Medicinal Chemistry. Unidade: IQSC

    Assuntos: QUÍMICA MÉDICA, NITRILAS, MEDICAMENTO, LIGANTES

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      BONATTO, Vinícius et al. Nitriles: an attractive approach to the development of covalent inhibitors. RSC Medicinal Chemistry, v. 14, p. 201-217, 2023Tradução . . Disponível em: https://doi.org/10.1039/D2MD00204C. Acesso em: 08 out. 2025.
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      Bonatto, V., Lameiro, R. da F., Rocho, F. dos R., Lameira, J., Leitão, A., & Montanari, C. A. (2023). Nitriles: an attractive approach to the development of covalent inhibitors. RSC Medicinal Chemistry, 14, 201-217. doi:10.1039/D2MD00204C
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      Bonatto V, Lameiro R da F, Rocho F dos R, Lameira J, Leitão A, Montanari CA. Nitriles: an attractive approach to the development of covalent inhibitors [Internet]. RSC Medicinal Chemistry. 2023 ; 14 201-217.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D2MD00204C
    • Vancouver

      Bonatto V, Lameiro R da F, Rocho F dos R, Lameira J, Leitão A, Montanari CA. Nitriles: an attractive approach to the development of covalent inhibitors [Internet]. RSC Medicinal Chemistry. 2023 ; 14 201-217.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D2MD00204C
  • Fonte: Chemical Biology and Drug Design. Unidade: IQSC

    Assuntos: BIOQUÍMICA, BIOLOGIA

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      Chemical Biology and Drug Design. Chemical Biology and Drug Design. Hoboken: Instituto de Química de São Carlos, Universidade de São Paulo. Disponível em: https://onlinelibrary-wiley.ez67.periodicos.capes.gov.br/page/journal/17470285/homepage/editorialboard.html. Acesso em: 08 out. 2025. , 2022
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      Chemical Biology and Drug Design. (2022). Chemical Biology and Drug Design. Chemical Biology and Drug Design. Hoboken: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://onlinelibrary-wiley.ez67.periodicos.capes.gov.br/page/journal/17470285/homepage/editorialboard.html
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      Chemical Biology and Drug Design [Internet]. Chemical Biology and Drug Design. 2022 ;[citado 2025 out. 08 ] Available from: https://onlinelibrary-wiley.ez67.periodicos.capes.gov.br/page/journal/17470285/homepage/editorialboard.html
    • Vancouver

      Chemical Biology and Drug Design [Internet]. Chemical Biology and Drug Design. 2022 ;[citado 2025 out. 08 ] Available from: https://onlinelibrary-wiley.ez67.periodicos.capes.gov.br/page/journal/17470285/homepage/editorialboard.html
  • Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assuntos: AMINOÁCIDOS, MECÂNICA QUÂNTICA, ENERGIA

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      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: 08 out. 2025.
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      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
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      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 2025 out. 08 ] 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 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466
  • Fonte: Expert Opinion on Therapeutic Patents. Unidade: IQSC

    Assuntos: BIOQUÍMICA, OSTEOPOROSE, NITRILAS

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      ROCHO, Fernanda dos Reis et al. A patent review on cathepsin K inhibitors to treat osteoporosis (2011 – 2021). Expert Opinion on Therapeutic Patents, v. 32, n. 5, p. 561-573, 2022Tradução . . Disponível em: https://doi.org/10.1080/13543776.2022.2040480. Acesso em: 08 out. 2025.
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      Rocho, F. dos R., Bonatto, V., Lameiro, R. da F., Lameira, J., Leitão, A., & Montanari, C. A. (2022). A patent review on cathepsin K inhibitors to treat osteoporosis (2011 – 2021). Expert Opinion on Therapeutic Patents, 32( 5), 561-573. doi:10.1080/13543776.2022.2040480
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      Rocho F dos R, Bonatto V, Lameiro R da F, Lameira J, Leitão A, Montanari CA. A patent review on cathepsin K inhibitors to treat osteoporosis (2011 – 2021) [Internet]. Expert Opinion on Therapeutic Patents. 2022 ; 32( 5): 561-573.[citado 2025 out. 08 ] Available from: https://doi.org/10.1080/13543776.2022.2040480
    • Vancouver

      Rocho F dos R, Bonatto V, Lameiro R da F, Lameira J, Leitão A, Montanari CA. A patent review on cathepsin K inhibitors to treat osteoporosis (2011 – 2021) [Internet]. Expert Opinion on Therapeutic Patents. 2022 ; 32( 5): 561-573.[citado 2025 out. 08 ] Available from: https://doi.org/10.1080/13543776.2022.2040480
  • Fonte: Future Medicinal Chemistry. Unidade: IQSC

    Assuntos: DOENÇA DE CHAGAS, LEISHMANIA MEXICANA

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      LAMEIRO, Rafael da Fonseca et al. Synthesis, biochemical evaluation and molecular modeling studies of nonpeptidic nitrile-based fluorinated compounds. Future Medicinal Chemistry, v. 13, n. 1, p. 25–43, 2021Tradução . . Disponível em: https://doi.org/10.4155/fmc-2020-0057. Acesso em: 08 out. 2025.
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      Lameiro, R. da F., Shamim, A., Rosini, F., Cendron, R., Batista, P. H. J., & Montanari, C. A. (2021). Synthesis, biochemical evaluation and molecular modeling studies of nonpeptidic nitrile-based fluorinated compounds. Future Medicinal Chemistry, 13( 1), 25–43. doi:10.4155/fmc-2020-0057
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      Lameiro R da F, Shamim A, Rosini F, Cendron R, Batista PHJ, Montanari CA. Synthesis, biochemical evaluation and molecular modeling studies of nonpeptidic nitrile-based fluorinated compounds [Internet]. Future Medicinal Chemistry. 2021 ; 13( 1): 25–43.[citado 2025 out. 08 ] Available from: https://doi.org/10.4155/fmc-2020-0057
    • Vancouver

      Lameiro R da F, Shamim A, Rosini F, Cendron R, Batista PHJ, Montanari CA. Synthesis, biochemical evaluation and molecular modeling studies of nonpeptidic nitrile-based fluorinated compounds [Internet]. Future Medicinal Chemistry. 2021 ; 13( 1): 25–43.[citado 2025 out. 08 ] Available from: https://doi.org/10.4155/fmc-2020-0057
  • Fonte: Bioorganic & Medicinal Chemistry: the tetrahedron journal for research at the interface of chemistry and biology. Unidade: IQSC

    Assuntos: BIOQUÍMICA, NITRILAS

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      SOUZA, Luana Alves Galvão de et al. Nitrile-based peptoids as cysteine protease inhibitors. Bioorganic & Medicinal Chemistry: the tetrahedron journal for research at the interface of chemistry and biology, p. 116211, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.bmc.2021.116211. Acesso em: 08 out. 2025.
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      Souza, L. A. G. de, Santos, D. A. dos, Cendron, R., Rocho, F. dos R., Matos, T. K. B., Leitão, A., & Montanari, C. A. (2021). Nitrile-based peptoids as cysteine protease inhibitors. Bioorganic & Medicinal Chemistry: the tetrahedron journal for research at the interface of chemistry and biology, 116211. doi:10.1016/j.bmc.2021.116211
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      Souza LAG de, Santos DA dos, Cendron R, Rocho F dos R, Matos TKB, Leitão A, Montanari CA. Nitrile-based peptoids as cysteine protease inhibitors [Internet]. Bioorganic & Medicinal Chemistry: the tetrahedron journal for research at the interface of chemistry and biology. 2021 ;116211.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.bmc.2021.116211
    • Vancouver

      Souza LAG de, Santos DA dos, Cendron R, Rocho F dos R, Matos TKB, Leitão A, Montanari CA. Nitrile-based peptoids as cysteine protease inhibitors [Internet]. Bioorganic & Medicinal Chemistry: the tetrahedron journal for research at the interface of chemistry and biology. 2021 ;116211.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.bmc.2021.116211
  • Fonte: Biochimica et Biophysica Acta - Proteins and Proteomics. Unidades: IQSC, IF, FM

    Assuntos: BIOQUÍMICA, PROTEÍNAS

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      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: 08 out. 2025.
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      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 2025 out. 08 ] 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 2025 out. 08 ] Available from: https://doi.org/10.1016/j.bbapap.2021.140719
  • Fonte: Chemical biology and drug design. Unidade: IQSC

    Assuntos: BIOQUÍMICA, BIOLOGIA

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      Chemical biology and drug design. Chemical biology and drug design. Hoboken: Wiley-Blackwell Publishing, Inc. Disponível em: https://repositorio.usp.br/directbitstream/4fe96630-45ee-4a8c-8a14-46a20aa75f89/P19198.pdf. Acesso em: 08 out. 2025. , 2021
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      Chemical biology and drug design. (2021). Chemical biology and drug design. Chemical biology and drug design. Hoboken: Wiley-Blackwell Publishing, Inc. Recuperado de https://repositorio.usp.br/directbitstream/4fe96630-45ee-4a8c-8a14-46a20aa75f89/P19198.pdf
    • NLM

      Chemical biology and drug design [Internet]. Chemical biology and drug design. 2021 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/4fe96630-45ee-4a8c-8a14-46a20aa75f89/P19198.pdf
    • Vancouver

      Chemical biology and drug design [Internet]. Chemical biology and drug design. 2021 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/4fe96630-45ee-4a8c-8a14-46a20aa75f89/P19198.pdf
  • Fonte: Bioorganic and Medicinal Chemistry. Unidade: IQSC

    Assuntos: QUÍMICA MÉDICA, NEOPLASIAS, INIBIDORES DE ENZIMAS

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      CIANNI, Lorenzo et al. Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L. Bioorganic and Medicinal Chemistry, v. 29, p. 115827, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.bmc.2020.115827. Acesso em: 08 out. 2025.
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      Cianni, L., Rocho, F. dos R., Bonatto, V., Martins, F. C. P., Lameira, J., Leitão, A., et al. (2021). Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L. Bioorganic and Medicinal Chemistry, 29, 115827. doi:10.1016/j.bmc.2020.115827
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      Cianni L, Rocho F dos R, Bonatto V, Martins FCP, Lameira J, Leitão A, Montanari CA, Shamim A. Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L [Internet]. Bioorganic and Medicinal Chemistry. 2021 ; 29 115827.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.bmc.2020.115827
    • Vancouver

      Cianni L, Rocho F dos R, Bonatto V, Martins FCP, Lameira J, Leitão A, Montanari CA, Shamim A. Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L [Internet]. Bioorganic and Medicinal Chemistry. 2021 ; 29 115827.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.bmc.2020.115827
  • Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assuntos: MEDICAMENTO, ENZIMAS

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      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: 08 out. 2025.
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      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 2025 out. 08 ] 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 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515
  • Fonte: RSC Medicinal Chemistry. Unidades: PUSP-RP, IQSC, Interunidades em Bioengenharia

    Assunto: DOENÇA DE CHAGAS

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      BONATT, Vinicius et al. On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors. RSC Medicinal Chemistry, v. 11, n. 11, p. 1275-1284, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0MD00097C. Acesso em: 08 out. 2025.
    • APA

      Bonatt, V., Batista, P. H. J., Cianni, L., Vita, D. de, Silva, D. G. da, Cedron, R., et al. (2020). On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors. RSC Medicinal Chemistry, 11( 11), 1275-1284. doi:10.1039/D0MD00097C
    • NLM

      Bonatt V, Batista PHJ, Cianni L, Vita D de, Silva DG da, Cedron R, Tezuka DY, Albuquerque S de, Moraes CB, Franco CH, Lameira J, Leitão A, Montanari CA. On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors [Internet]. RSC Medicinal Chemistry. 2020 ; 11( 11): 1275-1284.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D0MD00097C
    • Vancouver

      Bonatt V, Batista PHJ, Cianni L, Vita D de, Silva DG da, Cedron R, Tezuka DY, Albuquerque S de, Moraes CB, Franco CH, Lameira J, Leitão A, Montanari CA. On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors [Internet]. RSC Medicinal Chemistry. 2020 ; 11( 11): 1275-1284.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D0MD00097C
  • Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assunto: QUÍMICA MÉDICA

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      COSTA, Clauber H. S et al. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. Journal of Chemical Information and Modeling, p. 880-889, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00847. Acesso em: 08 out. 2025.
    • APA

      Costa, C. H. S., Bonatto, V., Santos, A. M. dos, Lameira, J., Leitão, A., & Montanari, C. A. (2020). Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. Journal of Chemical Information and Modeling, 880-889. doi:10.1021/acs.jcim.9b00847
    • NLM

      Costa CHS, Bonatto V, Santos AM dos, Lameira J, Leitão A, Montanari CA. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 880-889.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jcim.9b00847
    • Vancouver

      Costa CHS, Bonatto V, Santos AM dos, Lameira J, Leitão A, Montanari CA. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 880-889.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jcim.9b00847
  • Fonte: Chemical Biology & Drug Design. Unidades: FCFRP, IQSC, FMRP, EESC, ICMC

    Assuntos: DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI

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      ALBUQUERQUE, Sérgio de et al. Molecular design aided by random forests and synthesis of potent trypanocidal agents as cruzain inhibitors for Chagas disease treatment. Chemical Biology & Drug Design, v. 96, p. 948–960, 2020Tradução . . Disponível em: https://doi.org/10.1111/cbdd.13663. Acesso em: 08 out. 2025.
    • APA

      Albuquerque, S. de, Cianni, L., Vita, D. de, Lopes, C. D., Gomes, A. S. M., Gomes, P., et al. (2020). Molecular design aided by random forests and synthesis of potent trypanocidal agents as cruzain inhibitors for Chagas disease treatment. Chemical Biology & Drug Design, 96, 948–960. doi:10.1111/cbdd.13663
    • NLM

      Albuquerque S de, Cianni L, Vita D de, Lopes CD, Gomes ASM, Gomes P, Laughton C, Leitão A, Montanari CA, Montanari R, Ribeiro JFR, Silva JS da, Teixeira C. Molecular design aided by random forests and synthesis of potent trypanocidal agents as cruzain inhibitors for Chagas disease treatment [Internet]. Chemical Biology & Drug Design. 2020 ; 96 948–960.[citado 2025 out. 08 ] Available from: https://doi.org/10.1111/cbdd.13663
    • Vancouver

      Albuquerque S de, Cianni L, Vita D de, Lopes CD, Gomes ASM, Gomes P, Laughton C, Leitão A, Montanari CA, Montanari R, Ribeiro JFR, Silva JS da, Teixeira C. Molecular design aided by random forests and synthesis of potent trypanocidal agents as cruzain inhibitors for Chagas disease treatment [Internet]. Chemical Biology & Drug Design. 2020 ; 96 948–960.[citado 2025 out. 08 ] Available from: https://doi.org/10.1111/cbdd.13663
  • Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assunto: DOENÇA DE CHAGAS

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    • ABNT

      SILVA, JoséRogerio A. et al. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. Journal of Chemical Information and Modeling, v. 60, n. 3, p. 1666-1677, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b01138. Acesso em: 08 out. 2025.
    • APA

      Silva, J. R. A., Cianni, L., Araujo, D., Batista, P. H. J., Vita, D. de, Rosini, F., et al. (2020). Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. Journal of Chemical Information and Modeling, 60( 3), 1666-1677. doi:10.1021/acs.jcim.9b01138
    • NLM

      Silva JRA, Cianni L, Araujo D, Batista PHJ, Vita D de, Rosini F, Leitão A, Lameira J, Montanari CA. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 3): 1666-1677.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jcim.9b01138
    • Vancouver

      Silva JRA, Cianni L, Araujo D, Batista PHJ, Vita D de, Rosini F, Leitão A, Lameira J, Montanari CA. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 3): 1666-1677.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jcim.9b01138

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