Atomic analysis of protein-protein interfaces with known inhibitors: the 2P2I database.

ABSTRACT:

Background

In the last decade, the inhibition of protein-protein interactions (PPIs) has emerged from both academic and private research as a new way to modulate the activity of proteins. Inhibitors of these original interactions are certainly the next generation of highly innovative drugs that will reach the market in the next decade. However, in silico design of such compounds still remains challenging.

Methodology/principal findings

Here we describe this particular PPI chemical space through the presentation of 2P2I(DB), a hand-curated database dedicated to the structure of PPIs with known inhibitors. We have analyzed protein/protein and protein/inhibitor interfaces in terms of geometrical parameters, atom and residue properties, buried accessible surface area and other b

SUBMITTER: Bourgeas R 

PROVIDER: S-EPMC2834754 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature