DiPPI: A Curated Data Set for Drug-like Molecules in Protein-Protein Interfaces.

ABSTRACT: Proteins interact through their interfaces, and dysfunction of protein-protein interactions (PPIs) has been associated with various diseases. Therefore, investigating the properties of the drug-modulated PPIs and interface-targeting drugs is critical. Here, we present a curated large data set for drug-like molecules in protein interfaces. We further introduce DiPPI (Drugs in Protein-Protein Interfaces), a two-module web site to facilitate the search for such molecules and their properties by exploiting our data set in drug repurposing studies. In the interface module of the web site, we present several properties, of interfaces, such as amino acid properties, hotspots, evolutionary conservation of drug-binding amino acids, and post-translational modifications of these residues. On the drug

SUBMITTER: Cankara F 

PROVIDER: S-EPMC11577314 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature