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

Design, Synthesis, Experimental and Theoretical Characterization of a New Multitarget 2-Thienyl- N -Acylhydrazone Derivative by Bastos, Isadora T S, Pinheiro, Pedro de Sena M, Costa, Fanny N, Rocha, Miguel D, Sant'Anna, Carlos Mauricio R, Braz, Delson, Souza, Everton T, Martins, Marco A, Barreiro, Eliezer J, Ferreira, Fabio F, Barroso, Regina C, Fraga, Carlos A M

“…Pulmonary arterial hypertension (PAH) is a chronic cardiovascular disease that displays inflammatory components, which contributes to the difficulty of…”
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Molecular Modeling Techniques Applied to the Design of Multitarget Drugs: Methods and Applications by Castro, Larissa Henriques Evangelista, Sant'Anna, Carlos Mauricio R

“…Multifactorial diseases, such as cancer and diabetes present a challenge for the traditional "one-target, one disease" paradigm due to their complex pathogenic…”
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A novel 3,9-(1,2,3-trioxocine)-type steroid of Rauia nodosa (Rutaceae) by Rocha, Michelle Rodrigues e, de Souza, Jucimar Jorgeane, Barcellos, Lucas Tricarico, Sant'Anna, Carlos Mauricio R, Braz-Filho, Raimundo, Vieira, Ivo José Curcino

“…A new natural product, a 3,9-(1,2,3-trioxocine)-type steroid, named rauianodoxy (6), was isolated from Rauia nodosa, together with five steroids: sistostenone…”
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Fluorescence and Docking Studies of the Interaction between Human Serum Albumin and Pheophytin by Chaves, Otávio Augusto, Amorim, Ana Paula de O, Castro, Larissa H E, Sant'Anna, Carlos Mauricio R, de Oliveira, Márcia C C, Cesarin-Sobrinho, Dari, Netto-Ferreira, José Carlos, Ferreira, Aurélio B B

“…In the North of Brazil (Pará and Amazonas states) the leaves of the plant Talinum triangulare (popular: cariru) replace spinach as food. From a phytochemical…”
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Comparative chemical and biological hydrolytic stability of homologous esters and isosteres by de Souza, Hygor M. R., Guedes, Jéssica S., Freitas, Rosana H. C. N., Gelves, Luis G. V., Fokoue, Harold H., Sant'Anna, Carlos Mauricio R., Barreiro, Eliezer J., Lima, Lidia M.

“…Esters are one of the major functional groups present in the structures of prodrugs and bioactive compounds. Their presence is often associated with hydrolytic…”
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Novel phosphatidylinositol 4-kinases III beta (PI4KIIIβ) inhibitors discovered by virtual screening using free energy models by Colodette, Natalie M., Franco, Lucas S., Maia, Rodolfo C., Fokoue, Harold H., Sant’Anna, Carlos Mauricio R., Barreiro, Eliezer J.

“…Herein, the LASSBio Chemical Library is presented as a valuable source of compounds for screening to identify hits suitable for subsequent hit-to-lead…”
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A novel scaffold for EGFR inhibition: Introducing N-(3-(3-phenylureido)quinoxalin-6-yl) acrylamide derivatives by do Amaral, Daniel Nascimento, Lategahn, Jonas, Fokoue, Harold Hilarion, da Silva, Eduardo Miguez Bastos, Sant’Anna, Carlos Mauricio R., Rauh, Daniel, Barreiro, Eliezer J., Laufer, Stefan, Lima, Lidia Moreira

“…Clinical data acquired over the last decade on non-small cell lung cancer (NSCLC) treatment with small molecular weight Epidermal Growth Factor Receptor (EGFR)…”
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Medicinal Chemistry in Times of Scientific Obscurantism and Denialism: Do We Have a Future? by A. D. Neto, Brenno, R. Sant'Anna, Carlos Mauricio

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Discovery of novel dual-active 3-(4-(dimethylamino)phenyl)-7-aminoalcoxy-coumarin as potent and selective acetylcholinesterase inhibitor and antioxidant by de Souza, Gabriela Alves, da Silva, Soraia John, Del Cistia, Catarina de Nigris, Pitasse-Santos, Paulo, Pires, Lucas de Oliveira, Passos, Yulli Moraes, Cordeiro, Yraima, Cardoso, Cristiane Martins, Castro, Rosane Nora, Sant'Anna, Carlos Mauricio R., Kümmerle, Arthur Eugen

“…A series of 3-substituted-7-aminoalcoxy-coumarin was designed and evaluated as cholinesterase inhibitors and antioxidants. All compounds were effective in…”
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Investigation of trypanothione reductase inhibitory activity by 1,3,4-thiadiazolium-2-aminide derivatives and molecular docking studies by Rodrigues, Raquel F., Castro-Pinto, Denise, Echevarria, Aurea, dos Reis, Camilla M., Del Cistia, Catarina N., Sant’Anna, Carlos Mauricio R., Teixeira, Filipa, Castro, Helena, Canto-Cavalheiro, Marilene, Leon, Leonor L., Tomás, Ana

“…The biological activities of a series of mesoionic 1,3,4-thiadiazolium-2-aminide derivatives have been studied. The most active compounds (MI-HH; MI-3-OCH3;…”
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Structure-Based Discovery of Thiosemicarbazone Metalloproteinase Inhibitors for Hemorrhage Treatment in Snakebites by Ferreira, Francis B, Pereira, Thiago M, Souza, Dayane L. N, Lopes, Daiana S, Freitas, Vitor, Ávila, Veridiana M. R, Kümmerle, Arthur E, Sant’Anna, Carlos Mauricio R

“…The venoms of snakes are composed by many toxins, which are responsible for various toxic effects including intense pain, bleeding disorders, and local tissue…”
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Novel 2-chloro-4-anilino-quinazoline derivatives as EGFR and VEGFR-2 dual inhibitors by Barbosa, Maria Letícia de Castro, Lima, Lídia Moreira, Tesch, Roberta, Sant'Anna, Carlos Mauricio R., Totzke, Frank, Kubbutat, Michael H.G., Schächtele, Christoph, Laufer, Stefan A., Barreiro, Eliezer J.

“…Novel 2-chloro-4-anilino-quinazolines designed as EGFR and VEGFR-2 dual inhibitors were synthesized and evaluated for inhibitory effects. EGFR and VEGFR-2 are…”
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Probing the interaction between 7-O-β-d-glucopyranosyl-6-(3-methylbut-2-enyl)-5,4′-dihydroxyflavonol with bovine serum albumin (BSA) by Chaves, Otávio Augusto, Cesarin-Sobrinho, Dari, Sant’Anna, Carlos Mauricio R., de Carvalho, Mario Geraldo, Suzart, Luciano Ramos, Catunda-Junior, Francisco Eduardo Aragão, Netto-Ferreira, José Carlos, Ferreira, Aurélio B.B.

“…[Display omitted] •There is an association BSA/PF in the ground state and FRET can occur.•Binding is moderate and there is just one main binding site for PF in…”
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Solvent-free synthesis, DNA-topoisomerase II activity and molecular docking study of new asymmetrically N,N'-substituted ureas by Esteves-Souza, Andressa, Rodrigues-Santos, Claudio E, Del Cistia, Catarina de Nigris, Silva, Daniel Rosa da, Sant'anna, Carlos Maurício R, Echevarria, Aurea

“…A new series of asymmetrically N,N'-substituted ureas 20-25 was prepared using solvent free conditions, which is an eco-friendly methodology, starting with…”
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5-Enolpyruvylshikimate-3-phosphate synthase: Determination of the protonation state of active site residues by the semiempirical method by de Souza, Anivaldo Xavier, Sant’Anna, Carlos Mauricio R.

“…EPSP synthase (EPSPS) catalyzes the addition of shikimate-3-phosphate (S3P) and phosphoenolpyruvate (PEP) to form a tetrahedral intermediate (TI) that is…”
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Novel piperonal 1,3,4-thiadiazolium-2-phenylamines mesoionic derivatives: Synthesis, tyrosinase inhibition evaluation and HSA binding study by Lopes, Natália Drumond, Chaves, Otávio Augusto, de Oliveira, Márcia C.C., Sant'Anna, Carlos Mauricio R., Sousa-Pereira, Danilo, Netto-Ferreira, José Carlos, Echevarria, Aurea

“…A novel series of piperonal mesoionic derivatives (PMI 1–6) was synthesized. Tyrosinase inhibition in the presence of PMI-1, −2, −3, −4, −5 and −6 as well as…”
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Regioselective microwave synthesis and derivatization of 1,5-diaryl-3-amino-1,2,4-triazoles and a study of their cholinesterase inhibition properties by Santos, Sabrina Neves, Alves de Souza, Gabriela, Pereira, Thiago Moreira, Franco, Daiana Portella, de Nigris Del Cistia, Catarina, Sant'Anna, Carlos Mauricio R, Lacerda, Renata Barbosa, Kümmerle, Arthur Eugen

“…Herein we describe the development of an efficient one-pot regioselective synthesis protocol to obtain N -protected or N -deprotected…”
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Diastereoselective Synthesis of New Dialkylphosphorylhydrazones by Rodrigues, Janaína Marques, Sant'Anna, Carlos Mauricio R., Rumjanek, Victor Marcos, DaCosta, João Batista Neves

“…A series of 22 dialkylphosphorylydrazones (dialkyl ester, N′-[(1E)-(R 1 phenyl)methylene]-phosphorohydrazidic acid), 20 of them new, along with three new…”
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An Unusual Intramolecular Halogen Bond Guides Conformational Selection by Tesch, Roberta, Becker, Christian, Müller, Matthias Philipp, Beck, Michael Edmund, Quambusch, Lena, Getlik, Matthäus, Lategahn, Jonas, Uhlenbrock, Niklas, Costa, Fanny Nascimento, Polêto, Marcelo D., Pinheiro, Pedro de Sena Murteira, Rodrigues, Daniel Alencar, Sant'Anna, Carlos Mauricio R., Ferreira, Fabio Furlan, Verli, Hugo, Fraga, Carlos Alberto Manssour, Rauh, Daniel

“…PIK‐75 is a phosphoinositide‐3‐kinase (PI3K) α‐isoform‐selective inhibitor with high potency. Although published structure–activity relationship data show the…”
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Modeling zinc‐oxygen coordination in histone deacetylase: A comparison of semiempirical methods performance by Pinheiro, Pedro de Sena Murteira, Rodrigues, Daniel Alencar, Sant'Anna, Carlos Mauricio R., Fraga, Carlos Alberto Manssour

“…Semiempirical methods can be applied to calculations of much larger systems than classical ab initio or DFT methods, reaching accuracy sometimes comparable…”
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