Visualitzant per matèria "Molecular modelling"
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Design of novel small molecule base-pair recognizers of toxic CUG RNA transcripts characteristics of DM1
(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 ... -
Integrative structure determination reveals functional global flexibility for an ultra-multimodular arabinanase
(Communications Biology 2022, 5, 465, 2022)AbnA is an extracellular GH43 α-L-arabinanase from Geobacillus stearothermophilus, a key bacterial enzyme in the degradation and utilization of arabinan. We present herein its full-length crystal ... -
Molecular basis of the selective binding of MDMA enantiomers to the Alpha4Beta2 nicotinic receptor subtype: synthesis, pharmacological evaluation and mechanistic studies
(European Journal of Medicinal Chemistry. Vol.81 (2014), p.35-46, 2014-06)The α4β2 nicotinic acetylcholine receptor (nAChR) is a molecular target of 3,4-methylenedioxymethamphetamine (MDMA), a synthetic drug also known as ecstasy, and it modulates the MDMA-mediated reinforcing ...