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Breu introducció a la digitalització de la informació química
(Institut d'Estudis Catalans, 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 ...
Neuropsychopharmacology of Emerging Drugs of Abuse: meta- and para-Halogen-Ring-Substituted α-PVP (“flakka”) Derivatives
(MDPI, 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 ...
Analysis of laccase‐like enzymes secreted by fungi isolatedfrom a cave in northern Spain
(Wiley, 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 ...
De-Novo Design of pre-miR-21 Maturation Inhibitors: Synthesis and Activity Assessment
(Wiley, 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 ...
Simulaciones para aprender sobre el enlace, la geometría de las moléculas y la estructura de las sustancias
(Graó, 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 ...
Recent advances in the pharmacological targeting of ubiquitin-regulating enzymes in cancer
(Elsevier, 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 ...
Octanol-water partition coefficients of highly hydrophobic photodynamic therapy drugs: a computational study
(Asociación de Químicos e Ingenieros del Instituto Químico de Sarrià, 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
(Elsevier, 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 ...
In silico discovery of substituted pyrido[2,3-d]pyrimidines and pentamidine-like compounds with biological activity in myotonic dystrophy models
(Public Library of Science (PLoS), 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 ...
Expanding the Diversity at the C-4 Position of Pyrido[2,3-d]pyrimidin-7(8H)-ones to Achieve Biological Activity against ZAP-70
(MDPI, 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. ...