Abstract
Human neutrophil elastase inhibitors (HNE-Is) have been recently implicated in inflammatory diseases. Accordingly, we applied a drug discovery workflow to unveil novel inhibitory HNE leads via combining pharmacophore modeling, quantitative structure–activity relationship (QSAR) analysis, and in silico screening. We employed the pharmacophoric models and associated QSAR equation to screen the National Cancer Institute (NCI) list of compounds. Virtual screening identified 14 novel leads from NCI compounds. The most potent hit 126 exhibited 93 % inhibition at 10 μM.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
