Abstract
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 promising ADME-Tox profile and good potency.
Original language | English |
---|---|
Pages (from-to) | 188-194 |
Number of pages | 7 |
Journal | European Journal of Medicinal Chemistry |
Volume | 55 |
DOIs | |
Publication status | Published - Sep 2012 |
Keywords
- 3D-QSAR
- ADME-Tox
- CFTR potentiators
- DHP
- GRIND
- VolSurf+
ASJC Scopus subject areas
- Drug Discovery
- Organic Chemistry
- Pharmacology