Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins
Abstract
Netherton syndrome is caused by loss-of-function mutations in SPINK5 encoding the Kazal-type inhibitor LEKTI-1 leading to dysregulation of proteolytic cascades involving several kallikreins. We used both structure-based and ligand-based virtual screening computations to identify commercially available non-covalent inhibitors of human kallikrein 5 (hK5), a serine protease (trypsin-like) that plays a central role in the initiation of the molecular...
Paper Details
Title
Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins
Published Date
Dec 1, 2013
Volume
70
Pages
661 - 668
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