Search Results - "Sant’Anna, Carlos M. R"

Docking, synthesis and antiproliferative activity of N-acylhydrazone derivatives designed as combretastatin A4 analogues by do Amaral, Daniel Nascimento, Cavalcanti, Bruno C, Bezerra, Daniel P, Ferreira, Paulo Michel P, Castro, Rosane de Paula, Sabino, José Ricardo, Machado, Camila Maria Longo, Chammas, Roger, Pessoa, Claudia, Sant'Anna, Carlos M R, Barreiro, Eliezer J, Lima, Lídia Moreira

“…Cancer is the second most common cause of death in the USA. Among the known classes of anticancer agents, the microtubule-targeted antimitotic drugs are…”
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Design, Synthesis, and Pharmacological Evaluation of Novel N‑Acylhydrazone Derivatives as Potent Histone Deacetylase 6/8 Dual Inhibitors by Rodrigues, Daniel A, Ferreira-Silva, Guilherme À, Ferreira, Ana C. S, Fernandes, Renan A, Kwee, Jolie K, Sant’Anna, Carlos M. R, Ionta, Marisa, Fraga, Carlos A. M

“…This manuscript describes a novel class of N-acylhydrazone (NAH) derivatives that act as histone deacetylase (HDAC) 6/8 dual inhibitors and were designed from…”
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Beneficial effects of a novel agonist of the adenosine A2A receptor on monocrotaline‐induced pulmonary hypertension in rats by Alencar, Allan K N, Pereira, Sharlene L, Montagnoli, Tadeu L, Maia, Rodolfo C, Kümmerle, Arthur E, Landgraf, Sharon S, Caruso‐Neves, Celso, Ferraz, Emanuelle B, Tesch, Roberta, Nascimento, José H M, Sant'Anna, Carlos M R, Fraga, Carlos A M, Barreiro, Eliezer J, Sudo, Roberto T, Zapata‐Sudo, Gisele

“…Background and Purpose Pulmonary arterial hypertension (PAH) is characterized by enhanced pulmonary vascular resistance, right ventricular hypertrophy and…”
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Evaluation by fluorescence, STD-NMR, docking and semi-empirical calculations of the o-NBA photo-acid interaction with BSA by Chaves, Otávio A., Jesus, Catarina S.H., Cruz, Pedro F., Sant'Anna, Carlos M.R., Brito, Rui M.M., Serpa, Carlos

“…Serum albumins present reversible pH dependent conformational transitions. A sudden laser induced pH-jump is a methodology that can provide new insights on…”
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Quantitative Structure-Property Relationship (QSPR) Models for a Local Quantum Descriptor: Investigation of the 4- and 3-Substituted-Cinnamic Acid Esterification by Rodrigues-Santos, Cláudio E, Echevarria, Aurea, Sant'Anna, Carlos M R, Bitencourt, Thiago B, Nascimento, Maria G, Bauerfeldt, Glauco F

“…In this work, the theoretical description of the 4- and 3-substituted-cinnamic acid esterification with different electron donating and electron withdrawing…”
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Design, Synthesis, and Pharmacological Evaluation of First‐in‐Class Multitarget N‐Acylhydrazone Derivatives as Selective HDAC6/8 and PI3Kα Inhibitors by Rodrigues, Daniel A., Guerra, Fabiana S., Sagrillo, Fernanda S., Sena M. Pinheiro, Pedro, Alves, Marina A., Thota, Sreekanth, Chaves, Lorrane S., Sant'Anna, Carlos M. R., Fernandes, Patrícia D., Fraga, Carlos A. M.

“…Targeting histone deacetylases (HDACs) and phosphatidylinositol 3‐kinases (PI3Ks) is a very promising approach for cancer treatment. This manuscript describes…”
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NSAIDs revisited: Putative molecular basis of their interactions with peroxisome proliferator-activated gamma receptor (PPARγ) by Romeiro, Nelilma C., Sant'Anna, Carlos M.R., Lima, Lidia M., Fraga, Carlos A.M., Barreiro, Eliezer J.

“…This paper describes molecular docking studies of a series of classical NSAIDs with PPARγ receptor, which has been pointed as a new target for the design of…”
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A procedure combining molecular docking and semiempirical method PM7 for identification of selective Shp2 inhibitors by Rocha, Sheisi F. L. S., Sant'Anna, Carlos M. R.

“…Shp2 and Shp1 make up a small family of protein tyrosine phosphatases. Finding selective inhibitors for Shp2 is useful because although its inhibition is…”
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Structural insights into IKKβ inhibition by natural products staurosporine and quercetin by Avila, Carolina M., Romeiro, Nelilma C., Sant’Anna, Carlos M.R., Barreiro, Eliezer J., Fraga, Carlos A.M.

“…This work describes the structural basis of the IKKβ inhibition by staurosporine and quercetin in ATP binding site. This Letter describes the results of two…”
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Molecular docking study and development of an empirical binding free energy model for phosphodiesterase 4 inhibitors by Oliveira, Fernanda G., Sant’Anna, Carlos M.R., Caffarena, Ernesto R., Dardenne, Laurent E., Barreiro, Eliezer J.

“…Molecular docking, molecular dynamics, and semiempirical quantum calculations were combined to develop an empirical free energy model for the prediction of…”
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N -acylhydrazone derivative ameliorates monocrotaline-induced pulmonary hypertension through the modulation of adenosine AA2R activity by Alencar, Allan K.N, Pereira, Sharlene L, da Silva, Flavia E, Mendes, Luiza V.P, Cunha, Valéria do M.N, Lima, Lidia M, Montagnoli, Tadeu L, Caruso-Neves, Celso, Ferraz, Emanuelle B, Tesch, Roberta, Nascimento, José H.M, Sant'Anna, Carlos M.R, Fraga, Carlos A.M, Barreiro, Eliezer J, Sudo, Roberto T, Zapata-Sudo, Gisele

“…Abstract Background Pulmonary arterial hypertension (PAH) is a disease that results in right ventricular (RV) dysfunction. While pulmonary vascular disease is…”
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Antihypertensive profile of 2-thienyl-3,4-methylenedioxybenzoylhydrazone is mediated by activation of the A2A adenosine receptor by Leal, Carla Moreira, Pereira, Sharlene Lopes, Kümmerle, Arthur Eugen, Leal, Daniella Moreira, Tesch, Roberta, de Sant’Anna, Carlos M.R., Fraga, Carlos Alberto M., Barreiro, Eliezer Jesus, Sudo, Roberto Takashi, Zapata-Sudo, Gisele

“…Several N-acylhydrazone derivatives synthesized from safrole have been found to promote intense vasodilation and antihypertensive activity. The present work…”
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Structural insights into cholinesterases inhibition by harmane β-carbolinium derivatives: A kinetics – molecular modeling approach by Torres, Juliana M., Lira, Aline F., Silva, Daniel R., Guzzo, Lucas M., Sant’Anna, Carlos M.R., Kümmerle, Arthur E., Rumjanek, Victor M.

“…[Display omitted] ► The inhibition kinetics of cholinesterases by β-carbolinium salts were determined. ► A molecular modeling study of its enzyme–ligand…”
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Structure-based design and biological profile of ( E)- N-(4-Nitrobenzylidene)-2-naphthohydrazide, a novel small molecule inhibitor of IκB kinase-β by Avila, Carolina M., Lopes, Alexandra B., Gonçalves, Arlan S., da Silva, Leandro L., Romeiro, Nelilma C., Miranda, Ana Luisa P., Sant’Anna, Carlos M.R., Barreiro, Eliezer J., Fraga, Carlos A.M.

“…In this study, we describe the rational design, molecular modeling and pharmacological profile of a novel IKK-β inhibitor ( E)-…”
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LASSBio-897 Reduces Lung Injury Induced by Silica Particles in Mice: Potential Interaction with the A2A Receptor by Carvalho, Vinicius F., Ferreira, Tatiana P. T., de Arantes, Ana C. S., Noël, François, Tesch, Roberta, Sant’Anna, Carlos M. R., Barreiro, Eliezer J. L., Fraga, Carlos A. M., Rodrigues e Silva, Patrícia M., Martins, Marco A.

“…Silicosis is a lethal fibro-granulomatous pulmonary disease highly prevalent in developing countries, for which no proper therapy is available. Among a small…”
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From Origin to Current Methods: An Overview of Molecular Modeling Applied to Medicinal Chemistry in the Last 30 Years by Rocha, Vinícius N., Sant’Anna, Carlos M. R.

“…Molecular modeling soon attracted the attention of Medicinal Chemistry researchers, given the importance of molecular structure for understanding the mode of…”
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A novel 3D-QSAR comparative molecular field analysis (CoMFA) model of imidazole and quinazolinone functionalized p38 MAP kinase inhibitors by Sperandio da Silva, Gilberto M., Sant'Anna, Carlos M.R., Barreiro, Eliezer J.

“…A new CoMFA model of dihydroquinazolinone and tetrasubstituted imidazole compounds with p38 MAPK inhibitory activity is reported. In this study we describe a…”
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New triterpene glycoside and other chemical constituents from the leaves of Swartzia apetala Raddi var. glabra by de Araújo, Marcelo F., Curcino Vieira, Ivo J., Sant'Anna, Carlos M.R., da Silva, Daniel Rosa, Vitorino Maia, Ana Isabel, Braz-Filho, Raimundo, Vieira-da-Motta, Olney, Mathias, Leda

“…A new triterpene saponin (1) was isolated from a methanol extract of Swartzia apetala Raddi var. glabra, together with the flavonoids mauritianin (2),…”
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Development of new CoMFA and CoMSIA 3D-QSAR models for anti-inflammatory phthalimide-containing TNFα modulators by Avila, Carolina Martins, Romeiro, Nelilma Correia, Sperandio da Silva, Gilberto M., Sant’Anna, Carlos M.R., Barreiro, Eliezer J., Fraga, Carlos A.M.

“…3D-QSAR studies using CoMFA and CoMSIA approaches were performed on a series of anti-inflammatory thalidomide-analogue TNFα modulators. In the present study,…”
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A proposed molecular basis for the selective resveratrol inhibition of the PGHS-1 peroxidase activity by Kümmerle, Arthur E., Sperandio da Silva, Gilberto M., Sant’Anna, Carlos M.R., Barreiro, Eliezer J., Fraga, Carlos A.M.

“…This work describes the theoretical basis of the selective inhibition of the prostaglandin endoperoxide H 2 synthase (PGHS)-1 peroxidase site promoted by the…”
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