Article
Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activators.
European journal of medicinal chemistry - 1 Sept 2012
Visentin Sonja, Ermondi Giuseppe, Medana Claudio, Pedemonte Nicoletta, Galietta Luis, Caron Giulia
Abstract excerpt
The altered gating of the mutant CFTR chloride channel cystic fibrosis (CF) may be corrected by small molecules called potentiators. We present a molecular scale simulation system for the discovery of ΔF508-CFTR soluble potentiators. Results report the design, ADME-Tox prediction, synthesis, solubility determination and in vitro biological evaluation of two 1,4-dihydropyridines (DHPs). Compound 1 shows a...
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