Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V.

ABSTRACT: Most orally bioavailable drugs on the market are competitive inhibitors of catalytic sites, but a significant number of targets remain undrugged, because their molecular functions are believed to be inaccessible to drug-like molecules. This observation specifically applies to the development of small-molecule inhibitors of macromolecular interactions such as protein-membrane interactions that have been essentially neglected thus far. Nonetheless, many proteins containing a membrane-targeting domain play a crucial role in health and disease, and the inhibition of such interactions therefore represents a very promising therapeutic strategy. In this study, we demonstrate the use of combined in silico structure-based virtual ligand screening and surface plasmon resonance experiments to identif

SUBMITTER: Segers K 

PROVIDER: S-EPMC1937529 | biostudies-literature | 2007 Jul

REPOSITORIES: biostudies-literature