Design, Synthesis and Evaluation of Small Molecules as ALK5 Inhibitors
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Product details:
- Publisher LAP Lambert Academic Publishing
- Date of Publication 1 January 2018
- ISBN 9783659479922
- Binding Paperback
- No. of pages52 pages
- Size 220x150 mm
- Language English 0
Categories
Long description:
A new series of imidazo[2,1-b][1,3,4]thiadiazoles were synthesized as transforming growth factor-beta (TGF- beta) type I receptor (also known as activin receptor-like kinase 5 or ALK5) inhibitors. These compounds were evaluated for their ALK5 inhibitory activity in an enzyme assay and their TGF-beta -induced Smad2/3 phosphorylation inhibitory activity in a cell-based assay. One of the compound from this series displayed prominent ALK5 inhibition (IC50 = 0.0012 ?M) and elective inhibition (91%) against the P38 kinase at 10 ?M. The binding mode of this compound by XP docking studies showed that it fits well into the active site cavity of ALK5 by forming broad and tight interactions. Lipinski's rule and in silico ADME pharmacokinetic parameters are within the acceptable range defined for human use, thereby indicating their potential as a drug-like molecules.
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