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Artigo de periodico
Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome (2023)
Gomes, Suzane Quintana ; Federico, Leonardo Bruno ; Silva, Guilherme Martins da ; Lopes, Carla Duque ; Albuquerque, Sérgio de ; Silva, Carlos Henrique Tomich de Paula da
Fonte: Journal of Biomolecular Structure and Dynamics. Unidades: FCFRP, FFCLRP
Assuntos: DOENÇA DE CHAGAS, TRIAGEM TOXICOLÓGICA, METODOLOGIA E TÉCNICAS DE COMPUTAÇÃO, MEDICAMENTO TÓPICO
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GOMES, Suzane Quintana et al. Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome. Journal of Biomolecular Structure and Dynamics, 2023Tradução . . Disponível em: https://doi.org/10.1080/07391102.2023.2182129. Acesso em: 15 nov. 2024.
APA
Gomes, S. Q., Federico, L. B., Silva, G. M. da, Lopes, C. D., Albuquerque, S. de, & Silva, C. H. T. de P. da. (2023). Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome. Journal of Biomolecular Structure and Dynamics. doi:10.1080/07391102.2023.2182129
NLM
Gomes SQ, Federico LB, Silva GM da, Lopes CD, Albuquerque S de, Silva CHT de P da. Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome [Internet]. Journal of Biomolecular Structure and Dynamics. 2023 ;[citado 2024 nov. 15 ] Available from: https://doi.org/10.1080/07391102.2023.2182129
Vancouver
Gomes SQ, Federico LB, Silva GM da, Lopes CD, Albuquerque S de, Silva CHT de P da. Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome [Internet]. Journal of Biomolecular Structure and Dynamics. 2023 ;[citado 2024 nov. 15 ] Available from: https://doi.org/10.1080/07391102.2023.2182129
Parte de monografia/livro
Structural aspects of organic compounds as proteasome inhibitors addressed to several diseases (2022)
Gomes, Suzane Quintana ; Silva, Guilherme Martins da ; Barcelos, Mariana Pegrucci ; Melim, Lorane Izabel da Silva Hage; Silva, Carlos Henrique Tomich de Paula da
Fonte: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Unidades: FCFRP, FFCLRP
Assuntos: CICLO CELULAR, ARTRITE REUMATOIDE, ASMA, PSORÍASE, MALÁRIA, DOENÇA DE CHAGAS, NEOPLASIAS
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GOMES, Suzane Quintana et al. Structural aspects of organic compounds as proteasome inhibitors addressed to several diseases. Research topics in bioactivity, environment and energy: experimental and theoretical tools. Tradução . Cham: Springer, 2022. . Disponível em: https://doi.org/10.1007/978-3-031-07622-0_22. Acesso em: 15 nov. 2024.
APA
Gomes, S. Q., Silva, G. M. da, Barcelos, M. P., Melim, L. I. da S. H., & Silva, C. H. T. de P. da. (2022). Structural aspects of organic compounds as proteasome inhibitors addressed to several diseases. In Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer. doi:10.1007/978-3-031-07622-0_22
NLM
Gomes SQ, Silva GM da, Barcelos MP, Melim LI da SH, Silva CHT de P da. Structural aspects of organic compounds as proteasome inhibitors addressed to several diseases [Internet]. In: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer; 2022. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-031-07622-0_22
Vancouver
Gomes SQ, Silva GM da, Barcelos MP, Melim LI da SH, Silva CHT de P da. Structural aspects of organic compounds as proteasome inhibitors addressed to several diseases [Internet]. In: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer; 2022. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-031-07622-0_22
Artigo de periodico
Hierarchical virtual screening based on rocaglamide derivatives to discover new potential anti-skin cancer agents (2022)
Santos, Igor V. F. dos; Borges, Rosivaldo S.; Silva, Guilherme Martins da ; Lima, Lúcio R. de; Bastos, Ruan S.; Ramos, Ryan S.; Silva, Luciane B.; Silva, Carlos Henrique Tomich de Paula da ; Santos, Cleydson Breno Rodrigues dos
Fonte: Frontiers in Molecular Biosciences. Unidades: FCFRP, FFCLRP
Assuntos: PRODUTOS NATURAIS, NEOPLASIAS, PELE, ANTINEOPLÁSICOS
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SANTOS, Igor V. F. dos et al. Hierarchical virtual screening based on rocaglamide derivatives to discover new potential anti-skin cancer agents. Frontiers in Molecular Biosciences, v. 9, p. 1-22, 2022Tradução . . Disponível em: https://doi.org/10.3389/fmolb.2022.836572. Acesso em: 15 nov. 2024.
APA
Santos, I. V. F. dos, Borges, R. S., Silva, G. M. da, Lima, L. R. de, Bastos, R. S., Ramos, R. S., et al. (2022). Hierarchical virtual screening based on rocaglamide derivatives to discover new potential anti-skin cancer agents. Frontiers in Molecular Biosciences, 9, 1-22. doi:10.3389/fmolb.2022.836572
NLM
Santos IVF dos, Borges RS, Silva GM da, Lima LR de, Bastos RS, Ramos RS, Silva LB, Silva CHT de P da, Santos CBR dos. Hierarchical virtual screening based on rocaglamide derivatives to discover new potential anti-skin cancer agents [Internet]. Frontiers in Molecular Biosciences. 2022 ; 9 1-22.[citado 2024 nov. 15 ] Available from: https://doi.org/10.3389/fmolb.2022.836572
Vancouver
Santos IVF dos, Borges RS, Silva GM da, Lima LR de, Bastos RS, Ramos RS, Silva LB, Silva CHT de P da, Santos CBR dos. Hierarchical virtual screening based on rocaglamide derivatives to discover new potential anti-skin cancer agents [Internet]. Frontiers in Molecular Biosciences. 2022 ; 9 1-22.[citado 2024 nov. 15 ] Available from: https://doi.org/10.3389/fmolb.2022.836572
Artigo de periodico
Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1 (2022)
Correia, Lenir Cabral; Ferreira, Jaderson V.; Lima, Henrique B. de; Silva, Guilherme Martins da ; Silva, Carlos Henrique Tomich de Paula da ; Molfetta, Fábio Alberto de; Melim, Lorane Izabel da Silva Hage
Fonte: Journal of Molecular Modeling. Unidades: FCFRP, FFCLRP
Assuntos: CANABINOIDES, TRIAGEM TOXICOLÓGICA, SIMULAÇÃO
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CORREIA, Lenir Cabral et al. Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1. Journal of Molecular Modeling, v. 28, n. 9, p. 1-26, 2022Tradução . . Disponível em: https://doi.org/10.1007/s00894-022-05219-3. Acesso em: 15 nov. 2024.
APA
Correia, L. C., Ferreira, J. V., Lima, H. B. de, Silva, G. M. da, Silva, C. H. T. de P. da, Molfetta, F. A. de, & Melim, L. I. da S. H. (2022). Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1. Journal of Molecular Modeling, 28( 9), 1-26. doi:10.1007/s00894-022-05219-3
NLM
Correia LC, Ferreira JV, Lima HB de, Silva GM da, Silva CHT de P da, Molfetta FA de, Melim LI da SH. Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1 [Internet]. Journal of Molecular Modeling. 2022 ; 28( 9): 1-26.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/s00894-022-05219-3
Vancouver
Correia LC, Ferreira JV, Lima HB de, Silva GM da, Silva CHT de P da, Molfetta FA de, Melim LI da SH. Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1 [Internet]. Journal of Molecular Modeling. 2022 ; 28( 9): 1-26.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/s00894-022-05219-3
Artigo de periodico
Chromatographic profile, in silico and in vivo study of the pharmacokinetic and toxicological properties of major constituent present in kefir, the kefiran (2022)
Barros, Susy Érika de Lima; Lima, Henrique Barros de; Gonçalves, Leandra Karoline Alves; Correia, Lenir Cabral; Brito, Maiara de Fátima de Brito; Barcelos, Mariana Pegrucci ; Silva, Guilherme Martins da ; Silva, Carlos Henrique Tomich de Paula da ; Costa, Rafael Garrett da; Cruz, Rodrigo Alves Soares; Carvalho, José Carlos Tavares; Melim, Lorane Izabel da Silva Hage
Fonte: Toxicology Research. Unidades: FCFRP, FFCLRP
Assuntos: ALIMENTOS FUNCIONAIS, POLISSACARÍDEOS, FARMACOCINÉTICA, LEVEDURAS, BACTÉRIAS LÁTICAS
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BARROS, Susy Érika de Lima et al. Chromatographic profile, in silico and in vivo study of the pharmacokinetic and toxicological properties of major constituent present in kefir, the kefiran. Toxicology Research, v. 11, n. 3, p. 520-528, 2022Tradução . . Disponível em: https://doi.org/10.1093/toxres/tfac032. Acesso em: 15 nov. 2024.
APA
Barros, S. É. de L., Lima, H. B. de, Gonçalves, L. K. A., Correia, L. C., Brito, M. de F. de B., Barcelos, M. P., et al. (2022). Chromatographic profile, in silico and in vivo study of the pharmacokinetic and toxicological properties of major constituent present in kefir, the kefiran. Toxicology Research, 11( 3), 520-528. doi:10.1093/toxres/tfac032
NLM
Barros SÉ de L, Lima HB de, Gonçalves LKA, Correia LC, Brito M de F de B, Barcelos MP, Silva GM da, Silva CHT de P da, Costa RG da, Cruz RAS, Carvalho JCT, Melim LI da SH. Chromatographic profile, in silico and in vivo study of the pharmacokinetic and toxicological properties of major constituent present in kefir, the kefiran [Internet]. Toxicology Research. 2022 ; 11( 3): 520-528.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1093/toxres/tfac032
Vancouver
Barros SÉ de L, Lima HB de, Gonçalves LKA, Correia LC, Brito M de F de B, Barcelos MP, Silva GM da, Silva CHT de P da, Costa RG da, Cruz RAS, Carvalho JCT, Melim LI da SH. Chromatographic profile, in silico and in vivo study of the pharmacokinetic and toxicological properties of major constituent present in kefir, the kefiran [Internet]. Toxicology Research. 2022 ; 11( 3): 520-528.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1093/toxres/tfac032
Parte de monografia/livro
Lead optimization in drug discovery (2022)
Barcelos, Mariana Pegrucci ; Gomes, Suzane Quintana ; Federico, Leonardo Bruno ; Francischini, Isaque Antônio Galindo ; Melim, Lorane Izabel da Silva Hage; Silva, Guilherme Martins da ; Silva, Carlos Henrique Tomich de Paula da
Fonte: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Unidades: FCFRP, FFCLRP
Assuntos: PLANEJAMENTO DE FÁRMACOS, LEAD, QUÍMICA FARMACÊUTICA, LIGANTES
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ABNT
BARCELOS, Mariana Pegrucci et al. Lead optimization in drug discovery. Research topics in bioactivity, environment and energy: experimental and theoretical tools. Tradução . Cham: Springer, 2022. . Disponível em: https://doi.org/10.1007/978-3-031-07622-0_19. Acesso em: 15 nov. 2024.
APA
Barcelos, M. P., Gomes, S. Q., Federico, L. B., Francischini, I. A. G., Melim, L. I. da S. H., Silva, G. M. da, & Silva, C. H. T. de P. da. (2022). Lead optimization in drug discovery. In Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer. doi:10.1007/978-3-031-07622-0_19
NLM
Barcelos MP, Gomes SQ, Federico LB, Francischini IAG, Melim LI da SH, Silva GM da, Silva CHT de P da. Lead optimization in drug discovery [Internet]. In: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer; 2022. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-031-07622-0_19
Vancouver
Barcelos MP, Gomes SQ, Federico LB, Francischini IAG, Melim LI da SH, Silva GM da, Silva CHT de P da. Lead optimization in drug discovery [Internet]. In: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer; 2022. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-031-07622-0_19
Parte de monografia/livro
Advances in computational techniques for discovery and development of drugs against Leishmaniasis, a brief review (2022)
Silva, Rai Campos ; Santos, Cleydson Breno Rodrigues dos; Taft, Carlton A.; Silva, Guilherme Martins da ; Silva, Carlos Henrique Tomich de Paula da
Fonte: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Unidades: FCFRP, FFCLRP
Assuntos: PLANEJAMENTO DE FÁRMACOS, LEISHMANIOSE CUTÂNEA, METODOLOGIA E TÉCNICAS DE COMPUTAÇÃO
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SILVA, Rai Campos et al. Advances in computational techniques for discovery and development of drugs against Leishmaniasis, a brief review. Research topics in bioactivity, environment and energy: experimental and theoretical tools. Tradução . Cham: Springer, 2022. . Disponível em: https://doi.org/10.1007/978-3-031-07622-0_18. Acesso em: 15 nov. 2024.
APA
Silva, R. C., Santos, C. B. R. dos, Taft, C. A., Silva, G. M. da, & Silva, C. H. T. de P. da. (2022). Advances in computational techniques for discovery and development of drugs against Leishmaniasis, a brief review. In Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer. doi:10.1007/978-3-031-07622-0_18
NLM
Silva RC, Santos CBR dos, Taft CA, Silva GM da, Silva CHT de P da. Advances in computational techniques for discovery and development of drugs against Leishmaniasis, a brief review [Internet]. In: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer; 2022. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-031-07622-0_18
Vancouver
Silva RC, Santos CBR dos, Taft CA, Silva GM da, Silva CHT de P da. Advances in computational techniques for discovery and development of drugs against Leishmaniasis, a brief review [Internet]. In: Research topics in bioactivity, environment and energy: experimental and theoretical tools. Cham: Springer; 2022. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-031-07622-0_18
Artigo de periodico
Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches (2022)
Cruz, Josiane Viana; Giuliatti, Silvana ; Alves, Levy Bueno ; Silva, Rai Campos ; Ferreira, Elenilze Figueiredo Batista; Kimani, Njogu M.; Silva, Carlos Henrique Tomich de Paula da ; Souza, João S. N. de; Espejo-Román, José M.; Santos, Cleydson Breno Rodrigues dos
Fonte: Journal of Biomolecular Structure and Dynamics. Unidades: FMRP, FCFRP, FFCLRP
Assuntos: FARMACOCINÉTICA, TOXICOLOGIA, METABOLISMO
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ABNT
CRUZ, Josiane Viana et al. Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches. Journal of Biomolecular Structure and Dynamics, v. 40, n. 12, p. 5386-5408, 2022Tradução . . Disponível em: https://doi.org/10.1080/07391102.2020.1871413. Acesso em: 15 nov. 2024.
APA
Cruz, J. V., Giuliatti, S., Alves, L. B., Silva, R. C., Ferreira, E. F. B., Kimani, N. M., et al. (2022). Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches. Journal of Biomolecular Structure and Dynamics, 40( 12), 5386-5408. doi:10.1080/07391102.2020.1871413
NLM
Cruz JV, Giuliatti S, Alves LB, Silva RC, Ferreira EFB, Kimani NM, Silva CHT de P da, Souza JSN de, Espejo-Román JM, Santos CBR dos. Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches [Internet]. Journal of Biomolecular Structure and Dynamics. 2022 ; 40( 12): 5386-5408.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1080/07391102.2020.1871413
Vancouver
Cruz JV, Giuliatti S, Alves LB, Silva RC, Ferreira EFB, Kimani NM, Silva CHT de P da, Souza JSN de, Espejo-Román JM, Santos CBR dos. Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches [Internet]. Journal of Biomolecular Structure and Dynamics. 2022 ; 40( 12): 5386-5408.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1080/07391102.2020.1871413
Artigo de periodico
Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations (2022)
Mira Neto, Raimundo de A.; Santos, Cleydson B. R.; Henriques, Shayanne V. C.; Machado, Letícia de O.; Cruz, Jorddy N.; Silva, Carlos Henrique Tomich de Paula da ; Federico, Leonardo B.; Oliveira, Edivaldo H. C. de; Souza, Michel P. C.; Silva, Patrícia N. B.; Taft, Carlton A.; Ferreira, Irlon M.; Gomes, Madson R. F.
Fonte: Journal of Biomolecular Structure and Dynamics. Unidade: FCFRP
Assuntos: ANTINEOPLÁSICOS, FARMACOLOGIA, CÉLULAS, MOLÉCULA
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ABNT
MIRA NETO, Raimundo de A. et al. Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics, v. 40, n. 5, p. 2204-2216, 2022Tradução . . Disponível em: https://doi.org/10.1080/07391102.2020.1839562. Acesso em: 15 nov. 2024.
APA
Mira Neto, R. de A., Santos, C. B. R., Henriques, S. V. C., Machado, L. de O., Cruz, J. N., Silva, C. H. T. de P. da, et al. (2022). Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics, 40( 5), 2204-2216. doi:10.1080/07391102.2020.1839562
NLM
Mira Neto R de A, Santos CBR, Henriques SVC, Machado L de O, Cruz JN, Silva CHT de P da, Federico LB, Oliveira EHC de, Souza MPC, Silva PNB, Taft CA, Ferreira IM, Gomes MRF. Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations [Internet]. Journal of Biomolecular Structure and Dynamics. 2022 ; 40( 5): 2204-2216.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1080/07391102.2020.1839562
Vancouver
Mira Neto R de A, Santos CBR, Henriques SVC, Machado L de O, Cruz JN, Silva CHT de P da, Federico LB, Oliveira EHC de, Souza MPC, Silva PNB, Taft CA, Ferreira IM, Gomes MRF. Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations [Internet]. Journal of Biomolecular Structure and Dynamics. 2022 ; 40( 5): 2204-2216.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1080/07391102.2020.1839562
Parte de monografia/livro
In silico methods to predict relevant toxicological endpoints of bioactive substances (2021)
Silva, Guilherme Martins da ; Federico, Leonardo Bruno ; Alves, Vinicius Medeiros; Silva, Carlos Henrique Tomich de Paula da
Fonte: Functional properties of advanced engineering materials and biomolecules. Unidades: FCFRP, FFCLRP
Assuntos: PLANEJAMENTO DE FÁRMACOS, NUTRIENTES, SILÍCIO, TOXICOLOGIA, ESPECTROSCOPIA
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ABNT
SILVA, Guilherme Martins da et al. In silico methods to predict relevant toxicological endpoints of bioactive substances. Functional properties of advanced engineering materials and biomolecules. Tradução . Cham: Springer, 2021. . Disponível em: https://doi.org/10.1007/978-3-030-62226-8_22. Acesso em: 15 nov. 2024.
APA
Silva, G. M. da, Federico, L. B., Alves, V. M., & Silva, C. H. T. de P. da. (2021). In silico methods to predict relevant toxicological endpoints of bioactive substances. In Functional properties of advanced engineering materials and biomolecules. Cham: Springer. doi:10.1007/978-3-030-62226-8_22
NLM
Silva GM da, Federico LB, Alves VM, Silva CHT de P da. In silico methods to predict relevant toxicological endpoints of bioactive substances [Internet]. In: Functional properties of advanced engineering materials and biomolecules. Cham: Springer; 2021. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-030-62226-8_22
Vancouver
Silva GM da, Federico LB, Alves VM, Silva CHT de P da. In silico methods to predict relevant toxicological endpoints of bioactive substances [Internet]. In: Functional properties of advanced engineering materials and biomolecules. Cham: Springer; 2021. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-030-62226-8_22
Artigo de periodico
Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA (2021)
Federico, Leonardo Bruno ; Silva, Guilherme Martins da ; Gomes, Suzane Quintana ; Francischini, Isaque Antônio Galindo ; Barcelos, Mariana Pegrucci ; Santos, Cleydson Breno Rodrigues dos; Costa, Luciano Tavares da; Rosa, Joaquín Maria Campos; Silva, Carlos Henrique Tomich de Paula da
Fonte: Computers in Biology and Medicine. Unidades: FCFRP, FFCLRP
Assuntos: SÍTIOS DE LIGAÇÃO, ALCALOIDES, MICROTÚBULOS
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ABNT
FEDERICO, Leonardo Bruno et al. Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA. Computers in Biology and Medicine, v. 137, p. 1-11, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.compbiomed.2021.104817. Acesso em: 15 nov. 2024.
APA
Federico, L. B., Silva, G. M. da, Gomes, S. Q., Francischini, I. A. G., Barcelos, M. P., Santos, C. B. R. dos, et al. (2021). Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA. Computers in Biology and Medicine, 137, 1-11. doi:10.1016/j.compbiomed.2021.104817
NLM
Federico LB, Silva GM da, Gomes SQ, Francischini IAG, Barcelos MP, Santos CBR dos, Costa LT da, Rosa JMC, Silva CHT de P da. Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA [Internet]. Computers in Biology and Medicine. 2021 ; 137 1-11.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.compbiomed.2021.104817
Vancouver
Federico LB, Silva GM da, Gomes SQ, Francischini IAG, Barcelos MP, Santos CBR dos, Costa LT da, Rosa JMC, Silva CHT de P da. Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA [Internet]. Computers in Biology and Medicine. 2021 ; 137 1-11.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.compbiomed.2021.104817
Artigo de periodico
Synthesis, antitumor activity and in silico analyses of amino acid derivatives of artepillin C, drupanin and baccharin from green propolis (2021)
Rodrigues, Débora Munhoz; Portapilla, Gisele Bulhões; Silva, Guilherme Martins da ; Duarte, Andressa; Rotta, Cristiana Gonçalez; Silva, Carlos Henrique Tomich de Paula da; Albuquerque, Sérgio de ; Bastos, Jairo Kenupp ; Campo, Vanessa Leiria
Fonte: Bioorganic and Medicinal Chemistry. Unidades: FCFRP, FFCLRP, FMRP
Assuntos: PRODUTOS NATURAIS, NEOPLASIAS MAMÁRIAS, NEOPLASIAS PROSTÁTICAS, ALECRIM, PRÓPOLIS, SÍNTESE QUÍMICA
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ABNT
RODRIGUES, Débora Munhoz et al. Synthesis, antitumor activity and in silico analyses of amino acid derivatives of artepillin C, drupanin and baccharin from green propolis. Bioorganic and Medicinal Chemistry, v. 47, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.bmc.2021.116372. Acesso em: 15 nov. 2024.
APA
Rodrigues, D. M., Portapilla, G. B., Silva, G. M. da, Duarte, A., Rotta, C. G., Silva, C. H. T. de P. da, et al. (2021). Synthesis, antitumor activity and in silico analyses of amino acid derivatives of artepillin C, drupanin and baccharin from green propolis. Bioorganic and Medicinal Chemistry, 47. doi:10.1016/j.bmc.2021.116372
NLM
Rodrigues DM, Portapilla GB, Silva GM da, Duarte A, Rotta CG, Silva CHT de P da, Albuquerque S de, Bastos JK, Campo VL. Synthesis, antitumor activity and in silico analyses of amino acid derivatives of artepillin C, drupanin and baccharin from green propolis [Internet]. Bioorganic and Medicinal Chemistry. 2021 ; 47[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.bmc.2021.116372
Vancouver
Rodrigues DM, Portapilla GB, Silva GM da, Duarte A, Rotta CG, Silva CHT de P da, Albuquerque S de, Bastos JK, Campo VL. Synthesis, antitumor activity and in silico analyses of amino acid derivatives of artepillin C, drupanin and baccharin from green propolis [Internet]. Bioorganic and Medicinal Chemistry. 2021 ; 47[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.bmc.2021.116372
Parte de monografia/livro
Key aspects for achieving hits by virtual screening studies (2021)
Federico, Leonardo Bruno ; Barcelos, Mariana Pegrucci ; Silva, Guilherme Martins da ; Francischini, Isaque Antônio Galindo ; Taft, Carlton A.; Silva, Carlos Henrique Tomich de Paula da
Fonte: Functional properties of advanced engineering materials and biomolecules. Unidades: FCFRP, FFCLRP
Assuntos: TRIAGEM, ATIVAÇÃO ENZIMÁTICA, BIBLIOTECA VIRTUAL, LIGANTES, DESIGNS (CONFIGURAÇÕES COMBINATÓRIAS)
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ABNT
FEDERICO, Leonardo Bruno et al. Key aspects for achieving hits by virtual screening studies. Functional properties of advanced engineering materials and biomolecules. Tradução . Cham: Springer, 2021. . Disponível em: https://doi.org/10.1007/978-3-030-62226-8_16. Acesso em: 15 nov. 2024.
APA
Federico, L. B., Barcelos, M. P., Silva, G. M. da, Francischini, I. A. G., Taft, C. A., & Silva, C. H. T. de P. da. (2021). Key aspects for achieving hits by virtual screening studies. In Functional properties of advanced engineering materials and biomolecules. Cham: Springer. doi:10.1007/978-3-030-62226-8_16
NLM
Federico LB, Barcelos MP, Silva GM da, Francischini IAG, Taft CA, Silva CHT de P da. Key aspects for achieving hits by virtual screening studies [Internet]. In: Functional properties of advanced engineering materials and biomolecules. Cham: Springer; 2021. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-030-62226-8_16
Vancouver
Federico LB, Barcelos MP, Silva GM da, Francischini IAG, Taft CA, Silva CHT de P da. Key aspects for achieving hits by virtual screening studies [Internet]. In: Functional properties of advanced engineering materials and biomolecules. Cham: Springer; 2021. [citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/978-3-030-62226-8_16
Artigo de periodico
Natural products-based drug design against SARS-CoV-2 Mpro 3CLpro (2021)
Silva, Rai Campos ; Freitas, Humberto F.; Campos, Joaquín M.; Kimani, Njogu M.; Silva, Carlos Henrique Tomich de Paula da ; Borges, Rosivaldo S.; Pita, Samuel S. R.; Santos, Cleydson B. R.
Fonte: International Journal of Molecular Sciences. Unidades: FCFRP, FFCLRP
Assuntos: COVID-19, PRODUTOS NATURAIS, SAÚDE PÚBLICA, FARMACOCINÉTICA, ANÁLISE TOXICOLÓGICA
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SILVA, Rai Campos et al. Natural products-based drug design against SARS-CoV-2 Mpro 3CLpro. International Journal of Molecular Sciences, v. 22, n. 21, p. 1-24, 2021Tradução . . Disponível em: https://doi.org/10.3390/ijms222111739. Acesso em: 15 nov. 2024.
APA
Silva, R. C., Freitas, H. F., Campos, J. M., Kimani, N. M., Silva, C. H. T. de P. da, Borges, R. S., et al. (2021). Natural products-based drug design against SARS-CoV-2 Mpro 3CLpro. International Journal of Molecular Sciences, 22( 21), 1-24. doi:10.3390/ijms222111739
NLM
Silva RC, Freitas HF, Campos JM, Kimani NM, Silva CHT de P da, Borges RS, Pita SSR, Santos CBR. Natural products-based drug design against SARS-CoV-2 Mpro 3CLpro [Internet]. International Journal of Molecular Sciences. 2021 ; 22( 21): 1-24.[citado 2024 nov. 15 ] Available from: https://doi.org/10.3390/ijms222111739
Vancouver
Silva RC, Freitas HF, Campos JM, Kimani NM, Silva CHT de P da, Borges RS, Pita SSR, Santos CBR. Natural products-based drug design against SARS-CoV-2 Mpro 3CLpro [Internet]. International Journal of Molecular Sciences. 2021 ; 22( 21): 1-24.[citado 2024 nov. 15 ] Available from: https://doi.org/10.3390/ijms222111739
Artigo de periodico
Molecular docking, physicochemical properties, pharmacokinetics and toxicity of flavonoids present in Euterpe oleracea Martius (2021)
Oliveira, Nayana Keyla Seabra de; Almeida, Marcos Rafael Silva; Pontes, Franco Márcio Maciel; Barcelos, Mariana Pegrucci ; Silva, Guilherme Martins da ; Silva, Carlos Henrique Tomich de Paula da ; Cruz, Rodrigo Alves Soares; Melim, Lorane Izabel da Silva Hage
Fonte: Current Computer-Aided Drug Design. Unidades: FCFRP, FFCLRP
Assuntos: AÇAÍ, FLAVONOIDES, ANTIOXIDANTES, POLIFENÓIS
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OLIVEIRA, Nayana Keyla Seabra de et al. Molecular docking, physicochemical properties, pharmacokinetics and toxicity of flavonoids present in Euterpe oleracea Martius. Current Computer-Aided Drug Design, v. 17, n. 4, p. 589-617, 2021Tradução . . Disponível em: https://doi.org/10.2174/1573409916666200619122803. Acesso em: 15 nov. 2024.
APA
Oliveira, N. K. S. de, Almeida, M. R. S., Pontes, F. M. M., Barcelos, M. P., Silva, G. M. da, Silva, C. H. T. de P. da, et al. (2021). Molecular docking, physicochemical properties, pharmacokinetics and toxicity of flavonoids present in Euterpe oleracea Martius. Current Computer-Aided Drug Design, 17( 4), 589-617. doi:10.2174/1573409916666200619122803
NLM
Oliveira NKS de, Almeida MRS, Pontes FMM, Barcelos MP, Silva GM da, Silva CHT de P da, Cruz RAS, Melim LI da SH. Molecular docking, physicochemical properties, pharmacokinetics and toxicity of flavonoids present in Euterpe oleracea Martius [Internet]. Current Computer-Aided Drug Design. 2021 ; 17( 4): 589-617.[citado 2024 nov. 15 ] Available from: https://doi.org/10.2174/1573409916666200619122803
Vancouver
Oliveira NKS de, Almeida MRS, Pontes FMM, Barcelos MP, Silva GM da, Silva CHT de P da, Cruz RAS, Melim LI da SH. Molecular docking, physicochemical properties, pharmacokinetics and toxicity of flavonoids present in Euterpe oleracea Martius [Internet]. Current Computer-Aided Drug Design. 2021 ; 17( 4): 589-617.[citado 2024 nov. 15 ] Available from: https://doi.org/10.2174/1573409916666200619122803
Artigo de periodico
Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening (2021)
Federico, Leonardo Bruno ; Silva, Guilherme Martins da ; Melim, Lorane Izabel da Silva Hage; Gomes, Suzane Quintana ; Barcelos, Mariana Pegrucci ; Francischini, Isaque Antônio Galindo ; Silva, Carlos Henrique Tomich de Paula da
Fonte: Future Medicinal Chemistry. Unidades: FCFRP, FFCLRP
Assuntos: ANTIVIRAIS, MEDICAMENTO, COVID-19, BANCO DE DADOS, AVALIAÇÃO DE MEDICAMENTOS, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
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ABNT
FEDERICO, Leonardo Bruno et al. Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening. Future Medicinal Chemistry, v. 13, n. 16, p. 1353-1366, 2021Tradução . . Disponível em: https://doi.org/10.4155/fmc-2021-0025. Acesso em: 15 nov. 2024.
APA
Federico, L. B., Silva, G. M. da, Melim, L. I. da S. H., Gomes, S. Q., Barcelos, M. P., Francischini, I. A. G., & Silva, C. H. T. de P. da. (2021). Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening. Future Medicinal Chemistry, 13( 16), 1353-1366. doi:10.4155/fmc-2021-0025
NLM
Federico LB, Silva GM da, Melim LI da SH, Gomes SQ, Barcelos MP, Francischini IAG, Silva CHT de P da. Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening [Internet]. Future Medicinal Chemistry. 2021 ; 13( 16): 1353-1366.[citado 2024 nov. 15 ] Available from: https://doi.org/10.4155/fmc-2021-0025
Vancouver
Federico LB, Silva GM da, Melim LI da SH, Gomes SQ, Barcelos MP, Francischini IAG, Silva CHT de P da. Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening [Internet]. Future Medicinal Chemistry. 2021 ; 13( 16): 1353-1366.[citado 2024 nov. 15 ] Available from: https://doi.org/10.4155/fmc-2021-0025
Artigo de periodico
Revisiting the proposition of binding pockets and bioactive poses for GSK-3β allosteric modulators addressed to neurodegenerative diseases (2021)
Silva, Guilherme Martins da ; Borges, Rosivaldo S.; Santos, Kelton L. B.; Federico, Leonardo Bruno ; Francischini, Isaque Antônio Galindo ; Gomes, Suzane Quintana ; Barcelos, Mariana Pegrucci ; Silva, Rai Campos; Santos, Cleydson Breno Rodrigues dos ; Silva, Carlos Henrique Tomich de Paula da
Fonte: International Journal of Molecular Sciences. Unidades: FCFRP, FFCLRP
Assuntos: DOENÇAS NEURODEGENERATIVAS, SISTEMA NERVOSO CENTRAL, FÁRMACOS (SISTEMA NERVOSO CENTRAL), REGULAÇÃO ALOSTÉRICA, PROTEÍNAS QUINASES
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ABNT
SILVA, Guilherme Martins da et al. Revisiting the proposition of binding pockets and bioactive poses for GSK-3β allosteric modulators addressed to neurodegenerative diseases. International Journal of Molecular Sciences, v. 22, n. 15, p. 1-27, 2021Tradução . . Disponível em: https://doi.org/10.3390/ijms22158252. Acesso em: 15 nov. 2024.
APA
Silva, G. M. da, Borges, R. S., Santos, K. L. B., Federico, L. B., Francischini, I. A. G., Gomes, S. Q., et al. (2021). Revisiting the proposition of binding pockets and bioactive poses for GSK-3β allosteric modulators addressed to neurodegenerative diseases. International Journal of Molecular Sciences, 22( 15), 1-27. doi:10.3390/ijms22158252
NLM
Silva GM da, Borges RS, Santos KLB, Federico LB, Francischini IAG, Gomes SQ, Barcelos MP, Silva RC, Santos CBR dos, Silva CHT de P da. Revisiting the proposition of binding pockets and bioactive poses for GSK-3β allosteric modulators addressed to neurodegenerative diseases [Internet]. International Journal of Molecular Sciences. 2021 ; 22( 15): 1-27.[citado 2024 nov. 15 ] Available from: https://doi.org/10.3390/ijms22158252
Vancouver
Silva GM da, Borges RS, Santos KLB, Federico LB, Francischini IAG, Gomes SQ, Barcelos MP, Silva RC, Santos CBR dos, Silva CHT de P da. Revisiting the proposition of binding pockets and bioactive poses for GSK-3β allosteric modulators addressed to neurodegenerative diseases [Internet]. International Journal of Molecular Sciences. 2021 ; 22( 15): 1-27.[citado 2024 nov. 15 ] Available from: https://doi.org/10.3390/ijms22158252
Artigo de periodico
Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening (2020)
Federico, Leonardo Bruno ; Silva, Guilherme Martins da ; Dias, Amanda de Fraga; Figueiró, Fabrício; Battastini, Ana Maria Oliveira; Santos, Cleydson Breno Rodrigues dos; Costa, Luciano T.; Campos Rosa, Joaquín Maria; Silva, Carlos Henrique Tomich de Paula da
Fonte: International Journal of Biological Macromolecules. Unidades: FCFRP, FFCLRP
Assuntos: NEOPLASIAS, MEDICAMENTO
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ABNT
FEDERICO, Leonardo Bruno et al. Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening. International Journal of Biological Macromolecules, v. 165, p. 3040-3050, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.ijbiomac.2020.10.136. Acesso em: 15 nov. 2024.
APA
Federico, L. B., Silva, G. M. da, Dias, A. de F., Figueiró, F., Battastini, A. M. O., Santos, C. B. R. dos, et al. (2020). Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening. International Journal of Biological Macromolecules, 165, 3040-3050. doi:10.1016/j.ijbiomac.2020.10.136
NLM
Federico LB, Silva GM da, Dias A de F, Figueiró F, Battastini AMO, Santos CBR dos, Costa LT, Campos Rosa JM, Silva CHT de P da. Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening [Internet]. International Journal of Biological Macromolecules. 2020 ; 165 3040-3050.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.ijbiomac.2020.10.136
Vancouver
Federico LB, Silva GM da, Dias A de F, Figueiró F, Battastini AMO, Santos CBR dos, Costa LT, Campos Rosa JM, Silva CHT de P da. Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening [Internet]. International Journal of Biological Macromolecules. 2020 ; 165 3040-3050.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.ijbiomac.2020.10.136
Artigo de periodico
Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19 (2020)
Hage-Melim, Lorane Izabel da Silva; Federico, Leonardo Bruno ; Oliveira, Nayana Keyla Seabra de; Francisco, Viviane Cristina Cardoso; Correia, Lenir Cabral; Lima, Henrique Barros de; Gomes, Suzane Quintana ; Barcelos, Mariana Pegrucci ; Francischini, Isaque Antônio Galindo ; Silva, Carlos Henrique Tomich de Paula da
Fonte: Life Sciences. Unidades: FCFRP, FFCLRP
Assuntos: COVID-19, FARMACOLOGIA, PANDEMIAS, VIROLOGIA
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ABNT
HAGE-MELIM, Lorane Izabel da Silva et al. Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19. Life Sciences, v. 256, p. 1-13, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.lfs.2020.117963. Acesso em: 15 nov. 2024.
APA
Hage-Melim, L. I. da S., Federico, L. B., Oliveira, N. K. S. de, Francisco, V. C. C., Correia, L. C., Lima, H. B. de, et al. (2020). Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19. Life Sciences, 256, 1-13. doi:10.1016/j.lfs.2020.117963
NLM
Hage-Melim LI da S, Federico LB, Oliveira NKS de, Francisco VCC, Correia LC, Lima HB de, Gomes SQ, Barcelos MP, Francischini IAG, Silva CHT de P da. Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19 [Internet]. Life Sciences. 2020 ; 256 1-13.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.lfs.2020.117963
Vancouver
Hage-Melim LI da S, Federico LB, Oliveira NKS de, Francisco VCC, Correia LC, Lima HB de, Gomes SQ, Barcelos MP, Francischini IAG, Silva CHT de P da. Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19 [Internet]. Life Sciences. 2020 ; 256 1-13.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.lfs.2020.117963
Artigo de periodico
The Aspergillus fumigatus phosphoproteome reveals roles of high-osmolarity glycerol mitogen-activated protein kinases in promoting cell wall damage and caspofungin tolerance (2020)
Mattos, Eliciane Cevolani; Silva, Lilian Pereira ; Valero, Clara; Castro, Patrícia Alves de; Reis, Thaila Fernanda dos ; Ribeiro, Liliane Fraga Costa ; Marten, Mark R.; Silva-Rocha, Rafael ; Westmann, Cauã Antunes ; Silva, Carlos Henrique Tomich de Paula da ; Taft, Carlton Anthony; Al-Furaiji, Narjes; Bromley, Michael; Mortensen, Uffe H.; Benz, J. Philipp; Brown, Neil Andrew ; Goldman, Gustavo Henrique
Fonte: mBio. Unidades: FCFRP, FMRP
Assuntos: ANTIFÚNGICOS, FARMACOLOGIA, ASPERGILLUS, ENZIMOLOGIA, REGULAÇÃO GÊNICA, PROTEÍNAS QUINASES, TRANSDUÇÃO DE SINAL CELULAR
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ABNT
MATTOS, Eliciane Cevolani et al. The Aspergillus fumigatus phosphoproteome reveals roles of high-osmolarity glycerol mitogen-activated protein kinases in promoting cell wall damage and caspofungin tolerance. mBio, v. 11, n. 1, 2020Tradução . . Disponível em: https://doi.org/10.1128/mBio.02962-19. Acesso em: 15 nov. 2024.
APA
Mattos, E. C., Silva, L. P., Valero, C., Castro, P. A. de, Reis, T. F. dos, Ribeiro, L. F. C., et al. (2020). The Aspergillus fumigatus phosphoproteome reveals roles of high-osmolarity glycerol mitogen-activated protein kinases in promoting cell wall damage and caspofungin tolerance. mBio, 11( 1). doi:10.1128/mBio.02962-19
NLM
Mattos EC, Silva LP, Valero C, Castro PA de, Reis TF dos, Ribeiro LFC, Marten MR, Silva-Rocha R, Westmann CA, Silva CHT de P da, Taft CA, Al-Furaiji N, Bromley M, Mortensen UH, Benz JP, Brown NA, Goldman GH. The Aspergillus fumigatus phosphoproteome reveals roles of high-osmolarity glycerol mitogen-activated protein kinases in promoting cell wall damage and caspofungin tolerance [Internet]. mBio. 2020 ; 11( 1):[citado 2024 nov. 15 ] Available from: https://doi.org/10.1128/mBio.02962-19
Vancouver
Mattos EC, Silva LP, Valero C, Castro PA de, Reis TF dos, Ribeiro LFC, Marten MR, Silva-Rocha R, Westmann CA, Silva CHT de P da, Taft CA, Al-Furaiji N, Bromley M, Mortensen UH, Benz JP, Brown NA, Goldman GH. The Aspergillus fumigatus phosphoproteome reveals roles of high-osmolarity glycerol mitogen-activated protein kinases in promoting cell wall damage and caspofungin tolerance [Internet]. mBio. 2020 ; 11( 1):[citado 2024 nov. 15 ] Available from: https://doi.org/10.1128/mBio.02962-19

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