title: iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions.
abstract: The development of small molecule drugs targeting protein-protein interactions (PPI) represents a major challenge, in part owing to the misunderstanding of the PPI chemical space. To this end, we have manually collected the structures, the physicochemical and pharmacological profiles of 1650 PPI inhibitors across 13 families of PPI targets in a database named iPPI-DB. To access iPPI-DB, we propose a user-friendly web application (www.ippidb.cdithem.fr) with customizable queries and intuitive visualizing functionalities for associated properties of the compounds. This could assist scientists to design the next generation of PPI drugs. In this review, we describe iPPI-DB in the context of other low molecular weight molecule databases.
authors.affiliation: Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques in silico, France; Inserm UMR-S 973, 39 rue Hélène Brion, 75205 Paris Cedex 13, France; CDithem, Faculté de Pharmacie, 1 rue du Prof Laguesse, 59000 Lille, France.
authors.forename: Céline M
authors.initials: CM
authors.lastname: Labbé
authors.forename: Guillaume
authors.initials: G
authors.lastname: Laconde
authors.forename: Mélaine A
authors.initials: MA
authors.lastname: Kuenemann
authors.forename: Bruno O
authors.initials: BO
authors.lastname: Villoutreix
authors.forename: Olivier
authors.initials: O
authors.lastname: Sperandio
mesh_terms: D000818:Animals; D001392:Azocines / Q000737:chemistry / Q000494:pharmacology*; D001559:Benzhydryl Compounds / Q000737:chemistry / Q000494:pharmacology*; D030562:Databases, Protein; D016503:Drug Delivery Systems / Q000379:methods*; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D025941:Protein Interaction Mapping / Q000379:methods*
chemical_list: D001392:Azocines; D001559:Benzhydryl Compounds; C559144:N-benzhydryl-5-(2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo(1,2-a)(1,5)diazocine-8-carboxamide