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Ítem Acceso Abierto 1,3,4-oxadiazoles as inhibitors of the atypical member of the BET family bromodomain factor 3 from Trypanosoma cruzi (TcBDF3)(Frontiers, 2024-10-01) Alonso, Victoria Lucía; Escalante, Andrea Marta; Rodríguez Araya, Elvio; Frattini, Gianfranco; Tavernelli, Luis Emilio; Moreno, Diego M.; Furlán, Ricardo Luis Eugenio; Serra, Esteban CarlosChagas disease, caused by the protozoan parasite Trypanosoma cruzi, affects millions globally, with increasing urban cases outside of Latin America. Treatment is based on two compounds, namely, benznidazole (BZ) and nifurtimox, but chronic cases pose several challenges. Targeting lysine acetylation, particularly bromodomain-containing proteins, shows promise as a novel antiparasitic target. Our research focuses on TcBDF3, a cytoplasmic protein, which is crucial for parasite differentiation that recognizes acetylated alpha-tubulin. In our previous study, A1B4 was identified as a high-affinity binder of TcBDF3, showing significant trypanocidal activity with low host toxicity in vitro. In this report, the binding of TcBDF3 to A1B4 was validated using differential scanning fluorescence, fluorescence polarization, and molecular modeling, confirming its specific interaction. Additionally, two new 1,3,4-oxadiazoles derived from A1B4 were identified, which exhibited improved trypanocide activity and cytotoxicity profiles. Furthermore, TcBDF3 was classified for the first time as an atypical divergent member of the bromodomain extraterminal family found in protists and plants. These results make TcBDF3 a unique target due to its localization and known functions not shared with higher eukaryotes, which holds promise for Chagas disease treatment.Ítem Acceso Abierto 3-methylcrotonyl Coenzyme A (CoA) carboxylase complex is involved in the Xanthomonas citri subsp. citri lifestyle during citrus infection(Public Library of Science (PLOS), 2018-06-07) Tomassetti, Mauro; Garavaglia, Betiana Soledad; Vranych, Cecilia Verónica; Gottig, Natalia; Ottado, Jorgelina; Gramajo, Hugo Cesar; Diacovich, LautaroÍtem Acceso Abierto A coiled coil switch mediates cold sensing by the thermosensory protein DesK(Wiley, 2015-10-08) Saita, Emilio Adolfo; Abriata, Luciano Andrés; Tsai, Yi-Ting; Trajtenberg, Felipe; Lemmin, Thomas; Buschiazzo, Alejandro; Dal Peraro, Matteo; De Mendoza, Diego; Albanesi, DanielaThe thermosensor histidine kinase DesK from Bacillus subtilis senses changes in membrane fluidity initiating an adaptive response. Structural changes in DesK have been implicated in transmembrane signaling, but direct evidence is still lacking. On the basis of structure-guided mutagenesis, we now propose a mechanism of DesK-mediated signal sensing and transduction. The data indicate that stabilization/destabilization of a 2-helix coiled coil, which connects the transmembrane sensory domain of DesK to its cytosolic catalytic region, is crucial to control its signaling state. Computational modeling and simulations reveal couplings between protein, water and membrane mechanics. We propose that membrane thickening is the main driving force for signal sensing and that it acts by inducing helix stretching and rotation prompting an asymmetric kinase-competent state. Overall, the known structural changes of the sensor kinase, as well as further dynamic rearrangements that we now predict, consistently link structure determinants to activity modulation.Ítem Acceso Abierto A conditional mutant of the fatty acid synthase unveils unexpected cross talks in mycobacterial lipid metabolism(Royal Society, 2017-02-22) Cabruja, Matías Ezequiel; Mondino, Sonia Soledad; Tsai, Yi-Ting; Lara, María Julia; Gramajo, Hugo Cesar; Gago, GabrielaÍtem Acceso Abierto A convenient and eco-friendly cerium(III) chloride-catalysed synthesis of methoxime derivatives of aromatic aldehydes and ketones(The Royal Society, 2018-05-23) Cortés, Iván; Kaufman, Teodoro Saúl; Bracca, Andrea Beatriz JuanaÍtem Acceso Abierto A convenient approach to an advanced intermediate toward the naturally occurring, bioactive 6-substituted 5-hydroxy-4-aryl-1H-quinolin-2-ones(Royal Society of Chemistry, 2016-01-26) Simonetti, Sebastián Osvaldo; Larghi, Enrique Leandro; Kaufman, Teodoro SaúlÍtem Acceso Abierto A new n-methoxypyridone from the co-cultivation of Hawaiian endophytic fungi Camporesia sambuci FT1061 and Epicoccum sorghinum FT1062(MDPI, 2017-07-12) Li, Chun-shun; Sarotti, Ariel Marcelo; Yang, Baojun; Turkson, James; Cao, ShugengÍtem Acceso Abierto A novel multidomain acyl-CoA carboxylase in Saccharopolyspora erythraea provides malonyl-CoA for de novo fatty acid biosynthesis(Nature, 2019-04-30) Livieri, Andrea L.; Navone, Laura; Marcellin, Esteban; Gramajo, Hugo Cesar; Rodriguez, EduardoÍtem Acceso Abierto A penicillin derivative exerts an anti-metastatic activity in melanoma cells through the downregulation of integrin αvβ3 and Wnt/β-Catenin pathway(Frontiers Media, 2020-02-25) Barrionuevo, Elizabeth; Cayrol, María Florencia; Cremaschi, Graciela Alicia; Cornier, Patricia Griselda; Boggián, Dora Bernarda; Delpiccolo, Carina M. L.; Mata, Ernesto Gabino; Roguin, Leonor P.; Blank, Viviana C.The synthetic triazolylpeptidyl penicillin derivative, named TAP7f, has been previously characterized as an effective antitumor agent in vitro and in vivo against B16-F0 melanoma cells. In this study, we investigated the anti-metastatic potential of this compound on highly metastatic murine B16-F10 and human A375 melanoma cells. We found that TAP7f inhibited cell adhesion, migration and invasion in a dose-dependent manner. Additionally, we demonstrated that TAP7f downregulated integrin αvβ3 expression and Wnt/β-catenin pathway, a signaling cascade commonly related to tumor invasion and metastasis. Thus, TAP7f reduced both the enzymatic activity and the expression levels of matrix-metalloproteinases-2 and -9 in a time dependent manner. Moreover, TAP7f inhibited the expression of the transcription factor Snail and the mesenchymal markers vimentin, and N-cadherin, and up-regulated the expression of the epithelial marker E-cadherin, suggesting that the penicillin derivative affects epithelial–mesenchymal transition. Results obtained in vitro were supported by those obtained in a B16-F10-bearing mice metastatic model, that showed a significant TAP7f inhibition of lung metastasis. These findings suggest the potential of TAP7f as a chemotherapeutic agent for the treatment of metastatic melanoma.Ítem Acceso Abierto A study of the heat-mediated phase transformations of praziquantel hydrates. Evaluation of their impact on the dissolution rate(Elsevier, 2022-11) Salazar Rojas, Duvernis; Kaufman, Teodoro Saúl; Maggio, Rubén MarianoÍtem Acceso Abierto A synthetic approach to PW2‐Like compounds(Wiley, 2020-02-05) Forastieri, Pamela S.; Luna, Liliana E.; Cravero, Raquel M.; Labadie, Guillermo RobertoÍtem Acceso Abierto A theoretical study of the Duff reaction : insights into its selectivity(Royal Society of Chemistry, 2016-10-07) Grimblat, Nicolás; Sarotti, Ariel Marcelo; Kaufman, Teodoro Saúl; Simonetti, Sebastián OsvaldoÍtem Acceso Abierto Alkylhalovinylboranes: a new class of Diels-Alder dienophiles(Royal Society of Chemistry, 2018-10-02) Pisano, Pablo Luis; Pellegrinet, Silvina Carla; https://orcid.org/0000-0002-6368-9234; https://orcid.org/0000-0001-6854-7377The Diels–Alder reactions of alkylhalovinylboranes have been investigated theoretically and experimentally. Alkylhalovinylboranes presented higher reactivity than the corresponding dialkylvinylboranes. Although endo/exo selectivities were high for the reactions with cyclopentadiene, facial selectivities for the chiral analogues were low. Our results demonstrate that the replacement of an alkyl group on the boron atom by a halogen increases the dienophilicity considerably.Ítem Acceso Abierto An introductory classroom exercise on protein molecular model visualization and detailed analysis of protein–ligand binding(Wiley, 2013-03-23) Poeylaut-Palena, Andrés A.; Laborde, María de los ÁngelesA learning module for molecular level analysis of protein structure and ligand/drug interaction through the visualization of X-ray diffraction is presented. Using DeepView as molecular model visualization software, students learn about the general concepts of protein structure. This Biochemistry classroom exercise is designed to be carried out by following the detailed instructions that make software handling straightforward. Students learn about protein structure and gain insight into the molecular level of the interaction of two active compounds with their receptor.Ítem Acceso Abierto An optimized protocol for the synthesis of peptides Containing trans-Cyclooctene and Bicyclononyne Dienophiles as useful multifunctional bioorthogonal probes(John Wiley and Sons Inc, 2021-09-24) La Venia, Agustina; Dzijak, Rastislav; Rampmaier, Robert; Vrabel, MilanÍtem Acceso Abierto An unusual benzoisoquinoline-9-one derivative and other related compounds with antiproliferative activity from Hawaiian endophytic fungus Peyronellaea sp. FT431(MDPI, 2019-01-07) Li, Chun-shun; Sarotti, Ariel Marcelo; Wu, Xiaohua; Yang, Baojun; Turkson, James; Chen, Yongfei; Liu, Qingsong; Cao, ShugengÍtem Acceso Abierto An update on phytochemicals and pharmacological activities of the genus persicaria and polygonum(MDPI, 2021-10-01) Seimandi, Gisela; Álvarez, Norma; Stegmayer, María Inés; Fernández, Laura; Ruiz, Verónica; Favaro, María Alejandra; Derita, Marcos GabrielÍtem Acceso Abierto Antifungal activity and toxicity studies of flavanones isolated from Tessaria dodoneifolia aerial parts(Elsevier, 2020) Soberón, José R.; Sgariglia, Melina A.; Carabajal Torrez, José A.; Aguilar, Franco A.; Pero, Edgardo J.I.; Sampietro, Diego A.; Fernández de Luco, Julia; Labadie, Guillermo RobertoTessaria dodoneifolia [Asteraceae] is traditionally employed in Northwestern Argentina for fungal infections treatment. We report the antifungal activity guided isolation and identification of substances from aerial parts of this species, both individually and in combination with fluconazole (FLU), against Candida albicans strains. Two antifungal flavanones were identified as naringenin (NAR) and pinocembrin (PIN). These compounds could individually inhibit the growth of C. albicans strains. Combinations of NAR and PIN with FLU were synergistic against the FLU resistant and sensitive C. albicans strains. Genotoxic and cytotoxic evaluations were also performed. NAR, PIN and their combinations with FLU did not have a genotoxic effect on Bacillus subtilis rec strains. Finally, these compounds did not show cytotoxicity at concentrations below 80 μg/mL.Ítem Acceso Abierto Antifungal activity of pyranonaphthoquinones obtained from Cipura paludosa bulbs(SAGE, 2015-09-01) Campos, Adriana; Rodrigues Souza, Greice Maria; Delle Monache, Franco; Butassi, Estefanía; Zacchino, Susana; Cechinel Filho, ValdirÍtem Acceso Abierto Antimicrobial activity of quinoline-based hydroxyimidazolium hybrids(MDPI, 2019-11-28) Insuasty, Daniel; Vidal, Oscar; Bernal, Anthony; Marquez, Edgar; Guzman, Juan; Insuasty, Braulio; Svetaz, Laura Andrea ; Zacchino, Susana; Puerto, Gloria