Visualitzant per autor/a "Estrada-Tejedor, Roger"
Ara mostrant els elements 1-20 de 24
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1,6-Naphthyridin-2(1H)-ones: Synthesis and Biomedical Applications
Oliveras, Juan Marcos; Puig de la Bellacasa, Raimon; Estrada-Tejedor, Roger; Teixidó, Jordi; Borrell, Jose I. (Pharmaceuticals 2021;14(10):1029, 2021-10-09)Naphthyridines, also known as diazanaphthalenes, are a group of heterocyclic compounds that include six isomeric bicyclic systems containing two pyridine rings. 1,6-Naphthyridines are one of the members ... -
Analysis of laccase‐like enzymes secreted by fungi isolatedfrom a cave in northern Spain
Fernández Remacha, Daniel; González Riancho, Candela; Lastra Osua, Miranda; González Arce, Aránzazu; Montánchez, Itxaso; García Lobo, Juan María; Estrada-Tejedor, Roger; Kaberdin, Vladimir R. (Microbiology Open 2022, 11(2), e1279, 2022-04)Laccases belong to a family of multicopper enzymes able to oxidize a broad spectrum of organic compounds. Despite the well-known property of laccases to carry out bleaching and degradation of industrial ... -
Applying Molecular Modeling to the Design of Innovative, Non-Symmetrical CXCR4 Inhibitors with Potent Anticancer Activity
Martínez-Asensio, Miquel; Sàrrias, Lluís; Gorjón de Pablo, Gema; Fernández-Serrano, Miranda; Camaló Vila, Judith; Puig de la Bellacasa, Raimon; Teixidó, Jordi; Roué, Gaël; Borrell, Jose I.; Estrada-Tejedor, Roger; Gibert Bosch, Albert (International Journal of Molecular Sciences. 2024;25(17):9446, 2024-08-28)The identification of new compounds with potential activity against CXC chemokine receptor type 4 (CXCR4) has been broadly studied, implying several chemical families, particularly AMD3100 derivatives. ... -
Autocatalytic photoinduced oxidative dehydrogenation of pyrido[2,3-d]pyrimidin-7(8H)-ones: synthesis of C5–C6 unsaturated systems with concomitant formation of a long-lived radical
de Rocafiguera, Claudi; Lloveras, Vega; Vidal Gancedo, José; Teixidó, Jordi; Estrada-Tejedor, Roger; Borrell, Jose I.; Puig de la Bellacasa, Raimon (Organic Chemistry Frontiers, 2024, 11(1), 2024-01-07)5,6-Dihydropyrido[2,3-d]pyrimidin-7(8H)-ones are readily accessed by a variety of methods and are a good scaffold for the development of biologically active compounds. However, they are very reluctant ... -
Breu introducció a la digitalització de la informació química
Cuadros, Jordi; Estrada-Tejedor, Roger (Educació Química. N.22 (2016), p.31-37, 2016)La informació química, que tradicionalment s'havia gestionat a través de llibres, paradigmàticament, a través del Chemical Abstracts Service i dels diversos handbooks, ha migrat progressivament a la ... -
De-Novo Design of pre-miR-21 Maturation Inhibitors: Synthesis and Activity Assessment
Shcheholeva, Iryna; Fernández Remacha, Daniel; Estrada-Tejedor, Roger; Duca, Maria; Michelet, Véronique (Chemistry - A European Journal 2023, 29(40),e202300825, 2023-07-14)Targeting RNA with small molecules is a major challenge of current medicinal chemistry, and the identification and design of original scaffolds able to selectively interact with an RNA target remains ... -
Deconstructing Markush: Improving the R&D Efficiency Using Library Selection in Early Drug Discovery
Manen Freixa, Leticia; Borrell, Jose I.; Teixidó, Jordi; Estrada-Tejedor, Roger (Pharmaceuticals 2022, 15(9), 1159, 2022)Most of the product patents claim a large number of compounds based on a Markush structure. However, the identification and optimization of new principal active ingredients is frequently driven by a ... -
Defined D-hexapeptides bind CUG repeats and rescue phenotypes of myotonic dystrophy myotubes in a Drosophila model of the disease
Rapisarda, Anna; Bargiela, Ariadna; Llamusi, Beatriz; Pont, Isabel; Estrada-Tejedor, Roger; Garcia-España, Enrique; Artero, Ruben; Pérez-Alonso, Manuel (Scientific Reports, 2021-09-30)In Myotonic Dystrophy type 1 (DM1), a non-coding CTG repeats rare expansion disease; toxic double-stranded RNA hairpins sequester the RNA-binding proteins Muscleblind-like 1 and 2 (MBNL1 and 2) and ... -
Design of novel small molecule base-pair recognizers of toxic CUG RNA transcripts characteristics of DM1
Ondono, Raul; Lirio, Ángel; Carlos, Elvira; Álvarez-Marimon, Elena; Provenzano, Claudia; Cardinali, Beatrice; Pérez-Alonso, Manuel; Perálvarez-Marín, Alex; Borrell, Jose I.; Falcone, Germana; Estrada-Tejedor, Roger (Computational and Structural Biotechnology Journal, 2020-11-28)Myotonic Dystrophy type 1 (DM1) is an incurable neuromuscular disorder caused by toxic DMPK transcripts that carry CUG repeat expansions in the 3′ untranslated region (3′UTR). The intrinsic complexity ... -
Expanding the Diversity at the C-4 Position of Pyrido[2,3-d]pyrimidin-7(8H)-ones to Achieve Biological Activity against ZAP-70
Masip, Victor; Lirio, Ángel; Sánchez-López, Albert; Cuenca, Ana Belen; Puig de la Bellacasa, Raimon; Abrisqueta, Pau; Teixidó, Jordi; Borrell, Jose I.; Gibert, Albert; Estrada-Tejedor, Roger (Pharmaceuticals 2021;14(12):1311, 2021-12-15)Pyrido[2,3-d]pyrimidin-7(8H)-ones have attracted widespread interest due to their similarity with nitrogenous bases found in DNA and RNA and their potential applicability as tyrosine kinase inhibitors. ... -
In silico discovery of substituted pyrido[2,3-d]pyrimidines and pentamidine-like compounds with biological activity in myotonic dystrophy models
Estrada-Tejedor, Roger; Borrell, Jose I.; Teixidó, Jordi; González, Àlex L.; Konieczn, Piotr; Llamusi, Beatriz; Delgado-Pinar, Estefanía; Garcia-España, Enrique; Pérez-Alonso, Manuel; Artero, Ruben (PLoS ONE. Vol.12, n.6 (2017), e0178931, 2017-06)Myotonic dystrophy type 1 (DM1) is a rare multisystemic disorder associated with an expansion of CUG repeats in mutant DMPK (dystrophia myotonica protein kinase) transcripts; the main effect of these ... -
Multiscale modeling for complex chemical systems: highlights about the Nobel Prize in Chemistry 2013
Estrada-Tejedor, Roger; Ros-Blanco, Laia; Teixidó, Jordi (Afinidad. Vol.71, n.566 (2014), p.89-94, 2014-04)The Nobel Prize in Chemistry 2013 was awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel for the development of multiscale models for complex chemical systems. From the simplest ... -
Mutated RAS-associating proteins and ERK activation in relapse/refractory diffuse large B cell lymphoma
Benoit, Alexandre; Bou Petit, Elisabeth; Chou, Hsiang; Lu, Melissa; Guilbert, Cynthia; Mingyi Luo, Vincent; Assouline, Sarit; Morin, Ryan D; Dmitrienko, Svetlana; Estrada-Tejedor, Roger; Johnson, Nathalie A.; Mann, Koren K. (Scientific Reports 2022, 12, 779, 2022)Diffuse large B cell lymphoma (DLBCL) is successfully treated with combination immuno-chemotherapy, but relapse with resistant disease occurs in ~ 40% of patients. However, little is known regarding ... -
Neuropsychopharmacology of Emerging Drugs of Abuse: meta- and para-Halogen-Ring-Substituted α-PVP (“flakka”) Derivatives
Nadal Gratacós, Núria; Lleixà, Esther; Gibert Serramià, Mónica; Estrada-Tejedor, Roger; Berzosa, Xavier; Batllori Aguilà, Xavier; Pubill, David; Camarasa, Jordi; Fonseca, David; López-Arnau, Raúl (International Journal of Molecular Sciences 2022, 23(4), 2226, 2022-02)Changes in the molecular structure of synthetic cathinones has led to an increase in the number of novel emerging drugs in the illicit drug market at an unprecedented rate. Unfortunately, little is known ... -
Octanol-water partition coefficients of highly hydrophobic photodynamic therapy drugs: a computational study
Estrada-Tejedor, Roger; Sabaté, Noemí; Broto Puig, Francesc; Nonell, Santi (Afinidad. Vol.70, n.564 (2013), p.250-256, 2013-10)Photodynamic therapy is a novel treatment for solid tumors based on the selective induction of cell death by the generation of cytotoxic reactive oxygen species within neoplastic tissues. Oxygen ... -
Overcoming Paradoxical Kinase Priming by a Novel MNK1 Inhibitor
Bou Petit, Elisabeth; Hümmer, Stefan; Alarcon, Helena; Slobodnyuk, Konstantin; Cano Galietero, Marta; Fuentes, Pedro; Guijarro, Pedro J.; Muñoz, María José; Suarez Cabrera, Leticia; Santamaria, Anna; Estrada-Tejedor, Roger; Borrell, Jose I.; Ramón y Cajal, Santiago (Journal of Medicinal Chemistry, 2022, 65(8), 6070-6087, 2022-04-28)Targeting the kinases MNK1 and MNK2 has emerged as a valuable strategy in oncology. However, most of the advanced inhibitors are acting in an adenosine triphosphate (ATP)-competitive mode, precluding ... -
Rational Method for Structural Simplification as Key Step in Hit Discovery: The Case of FGFR2 and IGF1R Dual Inhibitors
Torres-Urtizberea, Endika; Borrell, Jose I.; Puig de la Bellacasa, Raimon; Estrada-Tejedor, Roger (International Journal of Molecular Sciences 2025, 26(9), 2025-05)In the classic medicinal chemistry hit discovery procedure, large virtual libraries undergo different filtering and prediction steps until a small group of molecules is selected for their subsequent ... -
Recent advances in the pharmacological targeting of ubiquitin-regulating enzymes in cancer
Montagut, Ana Maria; Armengol, Marc; Gorjón de Pablo, Gema; Estrada-Tejedor, Roger; Borrell, Jose I.; Roué, Gaël (Seminars in Cell & Developmental Biology 2022, 132, 213-229, 2022-12)As a post-translational modification that has pivotal roles in protein degradation, ubiquitination ensures that intracellular proteins act in a precise spatial and temporal manner to regulate diversified ... -
Role of amino terminal substitutions in the pharmacological, rewarding and psychostimulant profiles of novel synthetic cathinones
Duart-Castells, L.; Nadal Gratacós, Núria; Muralter, M.; Puster, B.; Berzosa, Xavier; Estrada-Tejedor, Roger; Niello, M.; Bhat, S.; Pubill, David; Camarasa, Jordi; Sitte, H. H.; Fonseca, David; López-Arnau, Raúl (Neuropharmacology, 2021-03-15)The emergence of new synthetic cathinones continues to be a matter of public health concern. In fact, they are quickly replaced by new structurally related alternatives. The main goal of the present ... -
Simulaciones para aprender sobre el enlace, la geometría de las moléculas y la estructura de las sustancias
Cuadros, Jordi; Estrada-Tejedor, Roger; Ros Blanco, Laia (Alambique. Vol.86 (2016), p.34-38, 2016)Las herramientas de modelización molecular son de uso común en investigación ypermiten explorar las estructuras de las entidades químicas y predecir las propiedades de las mismas. Del mismo modo, estos ...