Design of Allosteric Stimulators of the Hsp90 ATPase as New Anticancer Leads

Ilda D'Annessa, Sara Sattin, Jiahui Tao, Marzia Pennati, Carlos Sànchez-Martìn, Elisabetta Moroni, Andrea Rasola, Nadia Zaffaroni, David A. Agard, Anna Bernardi, Giorgio Colombo

Research output: Contribution to journalArticlepeer-review


Allosteric compounds that stimulate Hsp90 adenosine triphosphatase (ATPase) activity were rationally designed, showing anticancer potencies in the low micromolar to nanomolar range. In parallel, the mode of action of these compounds was clarified and a quantitative model that links the dynamic ligand–protein cross-talk to observed cellular and in vitro activities was developed. The results support the potential of using dynamics-based approaches to develop original mechanism-based cancer therapeutics.

Original languageEnglish
Pages (from-to)5188-5192
Number of pages5
JournalChemistry - A European Journal
Issue number22
Publication statusPublished - Jan 1 2017


  • allostery
  • drug design
  • hsp90
  • modulators
  • molecular dynamics

ASJC Scopus subject areas

  • Chemistry(all)


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