Search Results - "Amaral, Antonia T.‐do"

Molecular Dynamics Simulations of the Human Ecto-5′-Nucleotidase (h-ecto-5′-NT, CD73): Insights into Protein Flexibility and Binding Site Dynamics by Viviani, Lucas G., Kokh, Daria B., Wade, Rebecca C., T.-do Amaral, Antonia

“…Human ecto-5′-nucleotidase (h-ecto-5′-NT, CD73) is a homodimeric Zn2+-binding metallophosphoesterase that hydrolyzes adenosine 5′-monophosphate (5′-AMP) to…”
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Be Aware of Aggregators in the Search for Potential Human ecto -5'-Nucleotidase Inhibitors by Viviani, Lucas G, Piccirillo, Erika, Cheffer, Arquimedes, de Rezende, Leandro, Ulrich, Henning, Carmona-Ribeiro, Ana Maria, Amaral, Antonia T-do

“…Promiscuous inhibition due to aggregate formation has been recognized as a major concern in drug discovery campaigns. Here, we report some aggregators…”
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Nitroxides attenuate carrageenan-induced inflammation in rat paws by reducing neutrophil infiltration and the resulting myeloperoxidase-mediated damage by Queiroz, Raphael F., Jordão, Alessandro K., Cunha, Anna C., Ferreira, Vitor F., Brigagão, Maísa R.P.L., Malvezzi, Alberto, Amaral, Antonia T.-do, Augusto, Ohara

“…Tempol (4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl) and other cyclic nitroxides have been shown to inhibit the chlorinating activity of myeloperoxidase…”
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The cysteine-rich protein thimet oligopeptidase as a model of the structural requirements for S-glutathiolation and oxidative oligomerization by Malvezzi, Alberto, Higa, Patrícia M, T-do Amaral, Antonia, Silva, Gustavo M, Gozzo, Fabio C, Ferro, Emer S, Castro, Leandro M, de Rezende, Leandro, Monteiro, Gisele, Demasi, Marilene

“…Thimet oligopeptidase (EP24.15) is a cysteine-rich metallopeptidase containing fifteen Cys residues and no intra-protein disulfide bonds. Previous work on this…”
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MPO Inhibitors Selected by Virtual Screening by Malvezzi , Alberto, Queiroz , Raphael F, de Rezende , Leandro, Augusto, Ohara, Amaral, Antonia T.-do

“…The hemeprotein myeloperoxidase (MPO) participates in innate immune defense through its ability to generate potent microbicidal oxidants. However, these…”
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Neutrophil effector functions triggered by Fc-gamma and/or complement receptors are dependent on B-ring hydroxylation pattern and physicochemical properties of flavonols by Moreira, Mirian R., Kanashiro, Alexandre, Kabeya, Luciana M., Polizello, Ana Cristina M., Azzolini, Ana Elisa C.S., Curti, Carlos, Oliveira, Carlos A., T.-do Amaral, Antonia, Lucisano-Valim, Yara M.

“…Tissue damage in autoimmune diseases involves excessive production of reactive oxygen species (ROS) triggered by immune complexes (IC) and neutrophil (PMN)…”
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Structural insights on the efficient catalysis of hydroperoxide reduction by Ohr: Crystallographic and molecular dynamics approaches by Piccirillo, Erika, Alegria, Thiago G P, Discola, Karen F, Cussiol, José R R, Domingos, Renato M, de Oliveira, Marcos A, Rezende, Leandro de, Netto, Luis E S, Amaral, Antonia T-do

“…Organic hydroperoxide resistance (Ohr) enzymes are highly efficient Cys-based peroxidases that play central roles in bacterial response to fatty acid…”
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Lipophilicity as a determinant of binding of procaine analogs to rat α3β4 nicotinic acetylcholine receptor by Cheffer, Arquimedes, Mustafa, Elba Vieira, Amaral, Antonia T.-do, Ulrich, Henning

“…Nicotinic acetylcholine receptors (nAChRs) have been studied in detail with regard to their interaction with therapeutic and drug addiction‐related compounds…”
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7-Hydroxycoumarin modulates the oxidative metabolism, degranulation and microbial killing of human neutrophils by Kabeya, Luciana M., Fuzissaki, Carolina N., Taleb-Contini, Silvia H., da C. Ferreira, Ana Maria, Naal, Zeki, Santos, Everton O.L., Figueiredo-Rinhel, Andréa S.G., Azzolini, Ana Elisa C.S., Vermelho, Roberta B., Malvezzi, Alberto, -do Amaral, Antonia T., Lopes, João Luis C., Lucisano-Valim, Yara Maria

“…•7-Hydroxycoumarin derivatives modulate the oxidative metabolism of human neutrophils.•7-Hydroxycoumarin impairs degranulation of neutrophils and killing of…”
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Peroxymonocarbonate and Carbonate Radical Displace the Hydroxyl-like Oxidant in the Sod1 Peroxidase Activity under Physiological Conditions by Medinas, Danilo B, Toledo, Jr, José C, Cerchiaro, Giselle, do-Amaral, Antonia T, de-Rezende, Leandro, Malvezzi, Alberto, Augusto, Ohara

“…Despite being one of the most important antioxidant defenses, Cu,Zn-superoxide dismutase (Sod1) has been frequently associated with harmful effects, including…”
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Virtual Screening Approach for the Identification of Hydroxamic Acids as Novel Human Ecto-5′-Nucleotidase Inhibitors by Viviani, Lucas G, Piccirillo, Erika, Ulrich, Henning, Amaral, Antonia T.-do

“…Ecto-5′-nucleotidase (ecto-5′-NT, CD73) is a zinc-binding metallophosphatase that plays a key role in extracellular purinergic pathways, being implicated in…”
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Uncovering false positives on a virtual screening search for cruzain inhibitors by Malvezzi, Alberto, de Rezende, Leandro, Izidoro, Mario Augusto, Cezari, Maria Helena Sedenho, Juliano, Luiz, Amaral, Antonia T.-do

“…Promiscuous inhibition of cruzain is reported for three out of six virtual screening selected compounds. The promiscuous mechanism was assumed after the…”
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Lipid aldehyde hydrophobicity affects apo-SOD1 modification and aggregation by Dantas, Lucas S., Viviani, Lucas G., Inague, Alex, Piccirillo, Erika, Rezende, Leandro de, Ronsein, Graziella E., Augusto, Ohara, Medeiros, Marisa H.G., Amaral, Antonia T. do, Miyamoto, Sayuri

“…Unsaturated lipids are oxidized by reactive oxygen species and enzymes, leading to the increased formation of lipid hydroperoxides and several electrophilic…”
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Erratum to “Lipid aldehyde hydrophobicity affects apo-SOD1 modification and aggregation” by Dantas, Lucas S., Viviani, Lucas G., Inague, Alex, Piccirillo, Erika, Rezende, Leandro de, Ronsein, Graziella E., Augusto, Ohara, Medeiros, Marisa H.G., Amaral, Antonia T. do, Miyamoto, Sayuri

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Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence by Piccirillo, Erika, Merget, Benjamin, Sotriffer, Christoph A., do Amaral, Antonia T.

“…The dengue virus (DENV) has four well-known serotypes, namely DENV1 to DENV4, which together cause 50–100 million infections worldwide each year. DENV…”
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Investigation of 5-Nitrofuran Derivatives:  Synthesis, Antibacterial Activity, and Quantitative Structure−Activity Relationships by Pires, José Ricardo, Saito, Cristina, Gomes, Suely L, Giesbrecht, Astréa M, Amaral, Antonia T-do

“…Three sets of antibacterial nitrofuran derivatives [set I, 5-R-substituted (Z)-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzofuranones (R = OCH3, H, CH3, C2H5,…”
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Nucleotide conformational change induced by cationic bilayers by Nantes, Iseli L., Correia, Felipe M., Faljoni-Alario, Adelaide, Kawanami, Annelies E., Ishiki, Hamilton M., Amaral, Antonia T.-do, Carmona-Ribeiro, Ana M.

“…The effects of cetyltrimethylammonium bromide (CTAB) micelles and dioctadecyldimethylammonium bromide (DODAB) bilayers on molecular conformation of 2…”
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Cruzain inhibition by hydroxymethylnitrofurazone and nitrofurazone: investigation of a new target in Trypanosoma cruzi by Trossini, Gustavo H G, Malvezzi, Alberto, T-do Amaral, Antonia, Rangel-Yagui, Carlota Oliveira, Izidoro, Mario A, Cezari, Maria Helena S, Juliano, Luiz, Chin, Chung Man, Menezes, Carla M S, Ferreira, Elizabeth Igne

“…Nitrofurazone (NF) and its derivative, hydroxymethylnitrofurazone (NFOH), have presented antichagasic activity. NFOH has higher activity and lower…”
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The linear relationship between Koopmans' and hydrogen bond energies for some simple carbonyl molecules by Bruns, Roy E., Haiduke, Roberto L. A., Amaral, Antonia T. do

“…Recently Galabov and Bobadova-Parvanova have shown that the energy of hydrogen bond formation calculated at the HF/6-31G(d,p) level is highly correlated with…”
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Ion pair stabilization effects on a series of procaine structural analogs by Malvezzi, Alberto, do Amaral, Antonia T.

“…In this work, a series of 10 structural procaine analogs have been synthesized in order to investigate the structural features affecting the stability of ion…”
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