Browsing IQS by Author "Estrada Tejedor, Roger"
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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 ... -
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; Perez-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 Bilbao, José Ignacio; 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 ... -
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 Bilbao, José Ignacio; Teixidó i Closa, Jordi; González, Àlex L.; Konieczn, Piotr; Llamusi, Beatriz; Delgado-Pinar, Estefanía; García-España, Enrique; Pérez-Alonso, Manuel; Artero, Rubén (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 i Closa, 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 ... -
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 ... -
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 Rodríguez, Xavier; Estrada Tejedor, Roger; Niello, M.; Bhat, S.; Pubill Sánchez, David; Camarasa, J.; Sitte, H. H.; Escubedo, E.; López-Arnau, R. (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 ... -
Structural implications of the DFD-in domain in computer-aided molecular design of MAP kinase interacting kinase 2 inhibitors
Estrada Tejedor, Roger; Bou Petit, Elisabeth; Borrell Bilbao, José Ignacio; Ramón y Cajal, S. (Afinidad. Vol.74, n.578 (2017), p.83-89, 2017-04)Protein translation is a key process on cell development and proliferation that is often deregulated in cancer. MAP kinase interacting kinases 1 and 2 (Mnk1/2) play a pivotal role in regulating the ...