Search Results - "da Silva Lima, Camilo Henrique"

Cyclodextrin-encapsulated new drug with promising anti-Trypanosoma cruzi activity by Zanetti, Igor, do Nascimento Oliveira, Laudicéa, de Azevedo Maia, Fernanda Lima, de Santiago-Silva, Kaio Maciel, Pereira, Patricia M. L., Albuquerque, Magaly Girão, Gonçalves, Raoni Schroeder Borges, de Lima Ferreira Bispo, Marcelle, Yamada-Ogatta, Sueli F., Magalhães, Alviclér, da Silva Lima, Camilo Henrique, Malta, Luiz Fernando Brum

“…In the present study, a host–guest complex was obtained between a modified Chalcone (CHC) with anti T. cruzi activity and hydroxypropyl beta-cyclodextrin…”
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Antileishmanial Activity of 4,8-Dimethoxynaphthalenyl Chalcones on Leishmania amazonensis by de Santiago-Silva, Kaio Maciel, Bortoleti, Bruna Taciane da Silva, Oliveira, Laudicéa do Nascimento, Maia, Fernanda Lima de Azevedo, Castro, Joyce Cristina, Costa, Ivete Conchon, Lazarin, Danielle Bidóia, Wardell, James L., Wardell, Solange M. S. V., Albuquerque, Magaly Girão, Lima, Camilo Henrique da Silva, Pavanelli, Wander Rogério, Bispo, Marcelle de Lima Ferreira, Gonçalves, Raoni Schroeder B.

“…Leishmaniasis is a neglected tropical disease caused by Leishmania species. Available therapeutic options have several limitations. The drive to develop new,…”
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Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors by da Silva Lima, Camilo Henrique, de Alencastro, Ricardo Bicca, Kaiser, Carlos Roland, de Souza, Marcus Vinícius Nora, Rodrigues, Carlos Rangel, Albuquerque, Magaly Girão

“…Molecular dynamics (MD) simulations of 12 aqueous systems of the NADH-dependent enoyl-ACP reductase from Mycobacterium tuberculosis (InhA) were carried out for…”
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Hologram QSAR models of a series of 6-arylquinazolin-4-amine inhibitors of a new Alzheimer's disease target: dual specificity tyrosine-phosphorylation-regulated kinase-1A enzyme by Leal, Felipe Dias, da Silva Lima, Camilo Henrique, de Alencastro, Ricardo Bicca, Castro, Helena Carla, Rodrigues, Carlos Rangel, Albuquerque, Magaly Girão

“…Dual specificity tyrosine-phosphorylation-regulated kinase-1A (DYRK1A) is an enzyme directly involved in Alzheimer's disease, since its increased expression…”
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Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors by Camargo, Priscila Goes, dos Santos, Carine Ribeiro, Girão Albuquerque, Magaly, Rangel Rodrigues, Carlos, Lima, Camilo Henrique da Silva

“…Leishmaniasis is a disease caused by a protozoan of the genus Leishmania , affecting millions of people, mainly in tropical countries, due to poor social…”
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Molecular dynamics simulations of aqueous systems of inhibitor candidates for adenosine-5'-phosphosufate reductase by da Silva, Talis Uelisson, Pougy, Karina de Carvalho, Albuquerque, Magaly Girão, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula

“…Molecular dynamics (MD) simulations were used to evaluate some chelating agents as potential candidates to inhibitors for dissimilatory…”
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Molecular modelling studies and in vitro enzymatic assays identified A 4-(nitrobenzyl)guanidine derivative as inhibitor of SARS-CoV-2 Mpro by de Santiago-Silva, Kaio Maciel, Camargo, Priscila Goes, Carvalho Constant, Larissa Esteves, Costa, Stephany da Silva, Frensel, Giovanna Barbosa, Allonso, Diego, Nakazato, Gerson, Lima, Camilo Henrique da Silva, Bispo, Marcelle de Lima Ferreira

“…Scientists and researchers have been searching for drugs targeting the main protease (Mpro) of SARS-CoV-2, which is crucial for virus replication. This study…”
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Theoretical study of binuclear Cu-M complexes (M = Zn, Cu, Ni) with p-xylylene-bridged-bis(1,4,7-triazacyclononane) ligands: Possible CuZnSOD mimics by da Silva, Talis Uelisson, da Silva, Everton Tomaz, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula

“…[Display omitted] •Binuclear complexes Cu-M (M = Zn, Cu and Ni) were investigated by DFT calculations.•Theoretical parameters obtained showed good agreement…”
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Effect of a thiohydantoin salt derived from l-Arginine on Leishmania amazonensis and infected cells: Insights from biological effects to molecular docking interactions by da Silva Bortoleti, Bruna Taciane, Camargo, Priscila Goes, Gonçalves, Manoela Daiele, Tomiotto-Pellissier, Fernanda, Silva, Taylon Felipe, Concato, Virginia Marcia, Detoni, Mariana Barbosa, Bidóia, Danielle Larazin, da Silva Lima, Camilo Henrique, Rodrigues, Carlos Rangel, Bispo, Marcelle de Lima Ferreira, de Macedo, Fernando Cesar, Conchon-Costa, Ivete, Miranda-Sapla, Milena Menegazzo, Wowk, Pryscilla Fanini, Pavanelli, Wander Rogério

“…Leishmaniasis is a neglected tropical disease caused by parasites of the genus Leishmania and is responsible for more than 1 million new cases and 70,000…”
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Investigation of the antileishmanial activity and mechanisms of action of acetyl-thiohydantoins by Bortoleti, Bruna Taciane da Silva, Gonçalves, Manoela Daiele, Tomiotto-Pellissier, Fernanda, Camargo, Priscila Goes, Assolini, João Paulo, Concato, Virginia Marcia, Detoni, Mariana Barbosa, Bidóia, Danielle Larazin, Bispo, Marcelle de Lima Ferreira, Lima, Camilo Henrique da Silva, de Macedo, Fernando Cesar, Conchon-Costa, Ivete, Miranda-Sapla, Milena Menegazzo, Wowk, Pryscilla Fanini, Pavanelli, Wander Rogério

“…The currently available treatment options for leishmaniasis are associated with high costs, severe side effects, and high toxicity. In previous studies,…”
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Molecular modeling of indazole-3-carboxylic acid and its metal complexes (Zn, Ni, Co, Fe and Mn) as NO synthase inhibitors: DFT calculations, docking studies and molecular dynamics simulations by Uelisson da Silva, Talis, Tomaz da Silva, Everton, de Carvalho Pougy, Karina, Henrique da Silva Lima, Camilo, de Paula Machado, Sérgio

“…[Display omitted] •HL and their M-complexes were investigated by means of molecular modelling.•The M-OH2 bond obtained showed good agreement with biological…”
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Synthesis and Antitubercular Evaluation of N-Arylpyrazine and N,N′-Alkyl-diylpyrazine-2-carboxamide Derivatives by Bispo, Marcelle de Lima Ferreira, Gonçalves, Raoni Schroeder Borges, Lima, Camilo Henrique da Silva, Cardoso, Laura Nogueira de Faria, Lourenço, Maria Cristina Silva, de Souza, Marcus Vinícius Nora

“…Two series of pyrazinamide (PZA) derivatives have been synthesized and evaluated for their in vitro antibacterial activity against Mycobacterium tuberculosis…”
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Development, validation and analysis of a human profurin 3D model using comparative modeling and molecular dynamics simulations by Ferrari, Brenda de Souza, Lima, Camilo Henrique da Silva, Albuquerque, Magaly Girão

“…The emergence of new viruses can lead to the outbreak of pandemics as occurred at the end of 2019 with the coronavirus disease (or COVID-19). The fastest way…”
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Development of parameters compatible with the CHARMM36 force field for [Fe4S4]2+ clusters and molecular dynamics simulations of adenosine-5'-phosphosulfate reductase in GROMACS 2019 by da Silva, Talis Uelisson, Pougy, Karina de Carvalho, Albuquerque, Magaly Girão, da Silva Lima, Camilo Henrique, Machado, Sérgio de Paula

“…DFT calculations were used to obtain parameters compatible with the CHARMM36 force field for iron-sulfur clusters (Fe-S) of the type [Fe 4 S 4 ] 2+ that are…”
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Thiohydantoins as anti-leishmanial agents: n vitro biological evaluation and multi-target investigation by molecular docking studies by Camargo, Priscila Goes, Bortoleti, Bruna Taciane da Silva, Fabris, Marcieli, Gonçalves, Manoela Daiele, Tomiotto-Pellissier, Fernanda, Costa, Idessania Nazareth, Conchon-Costa, Ivete, Lima, Camilo Henrique da Silva, Pavanelli, Wander Rogério, Bispo, Marcelle de Lima Ferreira, Macedo Jr, Fernando

“…Leishmaniasis is a neglected tropical disease caused by protozoa of the genus Leishmania. The first-line treatment of this disease is still based on…”
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Electronic investigation of the effect of substituents on the SOD mimic activity of copper (II) complexes with 8-hydroxyquinoline-derived ligands by da Silva, Talis Uelisson, Pougy, Karina de Carvalho, da Silva, Everton Tomaz, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula

“…Density functional theory (DFT) calculations were used to study the superoxide dismutase (SOD) mimic activity of two Cu2+ complexes with ligands derived from…”
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DFT calculations of copper complexes mimicking superoxide dismutase and docking studies and molecular dynamics of the transition metal complex binding to serum albumin by Silva, Talis Uelisson da, Silva, Everton Tomaz, Albuquerque, Magaly Girão, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula

“…Superoxide dismutase (SOD) is a metalloenzyme whose antioxidant activity is mimicked by some transition metal complexes, and such ability can be added in…”
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Effect of a thiohydantoin salt derived from -Arginine on Leishmania amazonensis and infected cells: Insights from biological effects to molecular docking interactions by da Silva Bortoleti, Bruna Taciane, Camargo, Priscila Goes, Gonçalves, Manoela Daiele, Tomiotto-Pellissier, Fernanda, Silva, Taylon Felipe, Concato, Virginia Marcia, Detoni, Mariana Barbosa, Bidóia, Danielle Larazin, da Silva Lima, Camilo Henrique, Rodrigues, Carlos Rangel, Bispo, Marcelle de Lima Ferreira, de Macedo, Fernando Cesar, Conchon-Costa, Ivete, Miranda-Sapla, Milena Menegazzo, Wowk, Pryscilla Fanini, Pavanelli, Wander Rogério

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In silico approach identified benzoylguanidines as SARS-CoV-2 main protease (Mpro) potential inhibitors by Santiago-Silva, Kaio Maciel de, Camargo, Priscila, Felix da Silva Gomes, Gabriel, Sotero, Ana Paula, Orsato, Alexandre, Perez, Carla Cristina, Nakazato, Gerson, da Silva Lima, Camilo Henrique, Bispo, Marcelle

“…The coronavirus disease-2019 (COVID-19) pandemic, caused by the novel coronavirus severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2), became the…”
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Molecular modeling of [VO(L1–4)(R)] complexes (R = bipyridine, phenanthroline): DFT study of antioxidant activity, DNA binding and evaluation of electron-donating and -withdrawing substituent groups by Silva, Talis Uelisson da, Silva, Everton Tomaz da, Lima, Camilo Henrique da Silva, Machado, Sérgio de Paula

“…A DFT (density functional theory) study was conducted with eight oxovanadium complexes (C1 – C8) of general formula [VO(L1–4)(R)] (R = bipyridine,…”
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