Cotrina, Ellen Y.; Pinto, Marta; Bosch, Lluis; Vila, Marta; Blasi, Daniel; Quintana, Jordi; Centeno, Nuria B.; Arsequell, Gemma; Planas, Antoni; Valencia, Gregorio published the artcile< Modulation of the Fibrillogenesis Inhibition Properties of Two Transthyretin Ligands by Halogenation>, Product Details of C19H34O2, the main research area is fibrillogenesis transthyretin ligand halogenation.
The amyloidogenic protein transthyretin (TTR) is thought to aggregate into amyloid fibrils by tetramer dissociation which can be inhibited by a number of small mol. compounds Our anal. of a series of crystallog. protein-inhibitor complexes has shown no clear correlation between the observed mol. interactions and the in vitro activity of the inhibitors. From this anal., it emerged that halogen bonding (XB) could be mediating some key interactions. Anal. of the halogenated derivatives of two well-known TTR inhibitors has shown that while flufenamic acid affinity for TTR was unchanged by halogenation, diflunisal gradually improves binding up to 1 order of magnitude after iodination through interactions that can be interpreted as a suboptimal XB (carbonyl Thr106: I…O distance 3.96-4.05 Å; C-I…O angle 152-156°) or as rather optimized van der Waals contacts or as a mixture of both. These results illustrate the potential of halogenation strategies in designing and optimizing TTR fibrillogenesis inhibitors.
Journal of Medicinal Chemistry published new progress about Drug design. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.
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