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Artigo de periodico
Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor (2020)
Ribeiro, Jean Francisco Rosa ; Cianni, Lorenzo ; Li, Chan; Warwick, Thomas G.; Vita, Daniela de ; Rosini, Fabiana; Rocho, Fernanda dos Reis ; Martins, Felipe Cardoso Prado ; Kenny, Peter W; Lameira, Jerônimo ; Leitão, Andrei ; Emsley, Jonas ; Montanari, Carlos Alberto
Source: Bioorganic and Medicinal Chemistry. Unidade: IQSC
Subjects: LEISHMANIA MEXICANA, MEDICAMENTO
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ABNT
RIBEIRO, Jean Francisco Rosa et al. Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor. Bioorganic and Medicinal Chemistry, v. 22, n. 22, p. 115743, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.bmc.2020.115743. Acesso em: 03 out. 2024.
APA
Ribeiro, J. F. R., Cianni, L., Li, C., Warwick, T. G., Vita, D. de, Rosini, F., et al. (2020). Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor. Bioorganic and Medicinal Chemistry, 22( 22), 115743. doi:10.1016/j.bmc.2020.115743
NLM
Ribeiro JFR, Cianni L, Li C, Warwick TG, Vita D de, Rosini F, Rocho F dos R, Martins FCP, Kenny PW, Lameira J, Leitão A, Emsley J, Montanari CA. Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor [Internet]. Bioorganic and Medicinal Chemistry. 2020 ; 22( 22): 115743.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmc.2020.115743
Vancouver
Ribeiro JFR, Cianni L, Li C, Warwick TG, Vita D de, Rosini F, Rocho F dos R, Martins FCP, Kenny PW, Lameira J, Leitão A, Emsley J, Montanari CA. Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor [Internet]. Bioorganic and Medicinal Chemistry. 2020 ; 22( 22): 115743.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmc.2020.115743
Artigo de periodico
Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement (2019)
Gomes, Juliana C; Cianni, Lorenzo ; Ribeiro, Jean; Rocho, Fernanda dos Reis ; Silva, Samelyn da Costa Martins ; Batista, Pedro Henrique J; Moraes, Carolina Borsoi ; Franco, Caio Haddad ; Freitas Junior, Lúcio H G ; Kenny, Peter W; Leitão, Andrei ; Burtoloso, Antonio Carlos Bender ; Vita, Daniela de; Montanari, Carlos Alberto
Source: Bioorganic and Medicinal Chemistry. Unidades: IQSC, ICB
Assunto: QUÍMICA
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ABNT
GOMES, Juliana C et al. Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement. Bioorganic and Medicinal Chemistry, v. 27, n. 22, p. x 115083, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.bmc.2019.115083. Acesso em: 03 out. 2024.
APA
Gomes, J. C., Cianni, L., Ribeiro, J., Rocho, F. dos R., Silva, S. da C. M., Batista, P. H. J., et al. (2019). Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement. Bioorganic and Medicinal Chemistry, 27( 22), x 115083. doi:10.1016/j.bmc.2019.115083
NLM
Gomes JC, Cianni L, Ribeiro J, Rocho F dos R, Silva S da CM, Batista PHJ, Moraes CB, Franco CH, Freitas Junior LHG, Kenny PW, Leitão A, Burtoloso ACB, Vita D de, Montanari CA. Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement [Internet]. Bioorganic and Medicinal Chemistry. 2019 ; 27( 22): x 115083.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmc.2019.115083
Vancouver
Gomes JC, Cianni L, Ribeiro J, Rocho F dos R, Silva S da CM, Batista PHJ, Moraes CB, Franco CH, Freitas Junior LHG, Kenny PW, Leitão A, Burtoloso ACB, Vita D de, Montanari CA. Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement [Internet]. Bioorganic and Medicinal Chemistry. 2019 ; 27( 22): x 115083.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmc.2019.115083
Artigo de periodico
The influence of hydrogen bonding on partition coefficients (2017)
Borges, Nádia Melo; Kenny, Peter W; Montanari, Carlos Alberto ; Prokopczyk, Igor Muccilo; Ribeiro, Jean Francisco Rosa; Rocha, Josmar R; Sartori, Geraldo Rodrigues
Source: Journal of Computer Molecular Design. Unidade: IQSC
Assunto: LIGAÇÕES QUÍMICAS
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ABNT
BORGES, Nádia Melo et al. The influence of hydrogen bonding on partition coefficients. Journal of Computer Molecular Design, v. 31, n. 2, p. 163-181, 2017Tradução . . Disponível em: https://doi.org/10.1007/s10822-016-0002-5. Acesso em: 03 out. 2024.
APA
Borges, N. M., Kenny, P. W., Montanari, C. A., Prokopczyk, I. M., Ribeiro, J. F. R., Rocha, J. R., & Sartori, G. R. (2017). The influence of hydrogen bonding on partition coefficients. Journal of Computer Molecular Design, 31( 2), 163-181. doi:10.1007/s10822-016-0002-5
NLM
Borges NM, Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JFR, Rocha JR, Sartori GR. The influence of hydrogen bonding on partition coefficients [Internet]. Journal of Computer Molecular Design. 2017 ; 31( 2): 163-181.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-016-0002-5
Vancouver
Borges NM, Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JFR, Rocha JR, Sartori GR. The influence of hydrogen bonding on partition coefficients [Internet]. Journal of Computer Molecular Design. 2017 ; 31( 2): 163-181.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-016-0002-5
Artigo de periodico
A comparative study of warheads for design of cysteine protease inhibitors (2017)
Silva, Daniel G da; Ribeiro, Jean Francisco Rosa; De Vita, Daniela; Cianni, Lorenzo; Franco, Caio Haddad; Freitas Junior, Lucio H; Moraes, Carolina Borsoi; Rocha, Josmar R; Burtoloso, Antonio Carlos Bender ; Kenny, Peter W; Leitão, Andrei ; Montanari, Carlos Alberto
Source: Bioorganic & Medicinal Chemistry Letters. Unidade: IQSC
Assunto: ALDEÍDOS
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ABNT
SILVA, Daniel G da et al. A comparative study of warheads for design of cysteine protease inhibitors. Bioorganic & Medicinal Chemistry Letters, v. 27, n. 22, p. 5031-5035, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.bmcl.2017.10.002. Acesso em: 03 out. 2024.
APA
Silva, D. G. da, Ribeiro, J. F. R., De Vita, D., Cianni, L., Franco, C. H., Freitas Junior, L. H., et al. (2017). A comparative study of warheads for design of cysteine protease inhibitors. Bioorganic & Medicinal Chemistry Letters, 27( 22), 5031-5035. doi:10.1016/j.bmcl.2017.10.002
NLM
Silva DG da, Ribeiro JFR, De Vita D, Cianni L, Franco CH, Freitas Junior LH, Moraes CB, Rocha JR, Burtoloso ACB, Kenny PW, Leitão A, Montanari CA. A comparative study of warheads for design of cysteine protease inhibitors [Internet]. Bioorganic & Medicinal Chemistry Letters. 2017 ; 27( 22): 5031-5035.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmcl.2017.10.002
Vancouver
Silva DG da, Ribeiro JFR, De Vita D, Cianni L, Franco CH, Freitas Junior LH, Moraes CB, Rocha JR, Burtoloso ACB, Kenny PW, Leitão A, Montanari CA. A comparative study of warheads for design of cysteine protease inhibitors [Internet]. Bioorganic & Medicinal Chemistry Letters. 2017 ; 27( 22): 5031-5035.[citado 2024 out. 03 ] Available from: https://doi.org/10.1016/j.bmcl.2017.10.002
Artigo de periodico
Hydrogen bond basicity prediction for medicinal chemistry design (2016)
Kenny, Peter W; Montanari, Carlos Alberto ; Prokopczyk, Igor Muccilo; Ribeiro, Jean Francisco Rosa; Sartori, Geraldo Rodrigues
Source: Journal of Medicinal Chemistry. Unidade: IQSC
Assunto: QUÍMICA MÉDICA
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ABNT
KENNY, Peter W et al. Hydrogen bond basicity prediction for medicinal chemistry design. Journal of Medicinal Chemistry, v. 59, n. 9, p. 4278-4288, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jmedchem.5b01946. Acesso em: 03 out. 2024.
APA
Kenny, P. W., Montanari, C. A., Prokopczyk, I. M., Ribeiro, J. F. R., & Sartori, G. R. (2016). Hydrogen bond basicity prediction for medicinal chemistry design. Journal of Medicinal Chemistry, 59( 9), 4278-4288. doi:10.1021/acs.jmedchem.5b01946
NLM
Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JFR, Sartori GR. Hydrogen bond basicity prediction for medicinal chemistry design [Internet]. Journal of Medicinal Chemistry. 2016 ; 59( 9): 4278-4288.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jmedchem.5b01946
Vancouver
Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JFR, Sartori GR. Hydrogen bond basicity prediction for medicinal chemistry design [Internet]. Journal of Medicinal Chemistry. 2016 ; 59( 9): 4278-4288.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jmedchem.5b01946
Artigo de periodico
Ligand efficiency metrics considered harmful (2014)
Kenny, Peter W; Leitão, Andrei ; Montanari, Carlos Alberto
Source: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Subjects: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W e LEITÃO, Andrei e MONTANARI, Carlos Alberto. Ligand efficiency metrics considered harmful. Journal of Computer-Aided Molecular Design, v. 28, n. 7, p. 699-710, 2014Tradução . . Disponível em: https://doi.org/10.1007/s10822-014-9757-8. Acesso em: 03 out. 2024.
APA
Kenny, P. W., Leitão, A., & Montanari, C. A. (2014). Ligand efficiency metrics considered harmful. Journal of Computer-Aided Molecular Design, 28( 7), 699-710. doi:10.1007/s10822-014-9757-8
NLM
Kenny PW, Leitão A, Montanari CA. Ligand efficiency metrics considered harmful [Internet]. Journal of Computer-Aided Molecular Design. 2014 ; 28( 7): 699-710.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-014-9757-8
Vancouver
Kenny PW, Leitão A, Montanari CA. Ligand efficiency metrics considered harmful [Internet]. Journal of Computer-Aided Molecular Design. 2014 ; 28( 7): 699-710.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-014-9757-8
Artigo de periodico
Inflation of correlation in the pursuit of drug-likeness (2013)
Kenny, Peter W; Montanari, Carlos Alberto
Source: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Subjects: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W e MONTANARI, Carlos Alberto. Inflation of correlation in the pursuit of drug-likeness. Journal of Computer-Aided Molecular Design, v. 27, p. 1-13, 2013Tradução . . Disponível em: https://doi.org/10.1007/s10822-012-9631-5. Acesso em: 03 out. 2024.
APA
Kenny, P. W., & Montanari, C. A. (2013). Inflation of correlation in the pursuit of drug-likeness. Journal of Computer-Aided Molecular Design, 27, 1-13. doi:10.1007/s10822-012-9631-5
NLM
Kenny PW, Montanari CA. Inflation of correlation in the pursuit of drug-likeness [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27 1-13.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-012-9631-5
Vancouver
Kenny PW, Montanari CA. Inflation of correlation in the pursuit of drug-likeness [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27 1-13.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-012-9631-5
Artigo de periodico
ClogPalk: a method for predicting alkane/water partition coefficient (2013)
Kenny, Peter W; Montanari, Carlos Alberto ; Prokopczyk, Igor Muccilo
Source: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Subjects: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W e MONTANARI, Carlos Alberto e PROKOPCZYK, Igor Muccilo. ClogPalk: a method for predicting alkane/water partition coefficient. Journal of Computer-Aided Molecular Design, v. 27, n. 5, p. 389-402, 2013Tradução . . Disponível em: https://doi.org/10.1007/s10822-013-9655-5. Acesso em: 03 out. 2024.
APA
Kenny, P. W., Montanari, C. A., & Prokopczyk, I. M. (2013). ClogPalk: a method for predicting alkane/water partition coefficient. Journal of Computer-Aided Molecular Design, 27( 5), 389-402. doi:10.1007/s10822-013-9655-5
NLM
Kenny PW, Montanari CA, Prokopczyk IM. ClogPalk: a method for predicting alkane/water partition coefficient [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 5): 389-402.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-013-9655-5
Vancouver
Kenny PW, Montanari CA, Prokopczyk IM. ClogPalk: a method for predicting alkane/water partition coefficient [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 5): 389-402.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-013-9655-5
Artigo de periodico
Automated molecule editing in molecular design (2013)
Kenny, Peter W; Montanari, Carlos Alberto ; Prokopczyk, Igor Muccilo; Sala, Fernanda A; Sartori, Geraldo Rodrigues
Source: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Subjects: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W et al. Automated molecule editing in molecular design. Journal of Computer-Aided Molecular Design, v. 27, n. 8, p. 655-664, 2013Tradução . . Disponível em: https://doi.org/10.1007/s10822-013-9676-0. Acesso em: 03 out. 2024.
APA
Kenny, P. W., Montanari, C. A., Prokopczyk, I. M., Sala, F. A., & Sartori, G. R. (2013). Automated molecule editing in molecular design. Journal of Computer-Aided Molecular Design, 27( 8), 655-664. doi:10.1007/s10822-013-9676-0
NLM
Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Automated molecule editing in molecular design [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 8): 655-664.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-013-9676-0
Vancouver
Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Automated molecule editing in molecular design [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 8): 655-664.[citado 2024 out. 03 ] Available from: https://doi.org/10.1007/s10822-013-9676-0

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