Skip to content

Antiproliferative and Antimigratory Effects of a Novel YAP-TEAD Interaction Inhibitor Identified Using in Silico Molecular Docking

Research output: Contribution to journalArticle

Original languageEnglish
Pages (from-to)1291-1305
Number of pages15
JournalJournal of Medicinal Chemistry
Issue number3
Early online date14 Jan 2019
DateAccepted/In press - 14 Jan 2019
DateE-pub ahead of print - 14 Jan 2019
DatePublished (current) - 14 Feb 2019


The Hippo pathway is an important regulator of cell growth, proliferation, and migration. TEAD transcription factors, which lie at the core of the Hippo pathway, are essential for regulation of organ growth and wound repair. Dysregulation of TEAD and its regulatory cofactor Yes-associated protein (YAP) have been implicated in numerous human cancers and hyperproliferative pathological processes. Hence, the YAP-TEAD complex is a promising therapeutic target. Here, we use in silico molecular docking using Bristol University Docking Engine to screen a library of more than 8 million druglike molecules for novel disrupters of the YAP-TEAD interaction. We report the identification of a novel compound (CPD3.1) with the ability to disrupt YAP-TEAD protein-protein interaction and inhibit TEAD activity, cell proliferation, and cell migration. The YAP-TEAD complex is a viable drug target, and CPD3.1 is a lead compound for the development of more potent TEAD inhibitors for treating cancer and other hyperproliferative pathologies.

    Research areas

  • Synthetic biology

    Structured keywords

  • BrisSynBio
  • Bristol BioDesign Institute

Download statistics

No data available



  • Full-text PDF (final published version)

    Rights statement: This is the final published version of the article (version of record). It first appeared online via ACS Publications at Please refer to any applicable terms of use of the publisher.

    Final published version, 8.12 MB, PDF document

    Licence: CC BY


View research connections

Related faculties, schools or groups