publication . Article . 2009

Atomic interactions and profile of small molecules disrupting protein-protein interfaces: the TIMBAL database.

Colin Groom; null null; Alicia Higueruelo; William Pitt; Adrian Schreyer;
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  • Published: 06 Oct 2009 Journal: Chemical Biology & Drug Design, volume 74, pages 457-467 (issn: 1747-0277, eissn: 1747-0285, Copyright policy)
  • Publisher: Wiley
Abstract
: Growing evidence of the possibility of modulating protein-protein interactions with small molecules is opening the door to new approaches and concepts in drug discovery. In this paper, we describe the creation of TIMBAL, a hand-curated database holding an up to date collection of small molecules inhibiting multi-protein complexes. This database has been analysed and profiled in terms of molecular properties. Protein-protein modulators tend to be large lipophilic molecules with few hydrogen bond features. An analysis of TIMBAL's intersection with other structural databases, including CREDO (protein-small molecule from the PDB) and PICCOLO (protein-protein from ...
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