2. Academic Validation
  3. Structure-based design of HSPA5 inhibitors: from peptide to small molecule inhibitors

Structure-based design of HSPA5 inhibitors: from peptide to small molecule inhibitors

  • Bioorg Med Chem Lett. 2013 May 15;23(10):3044-50. doi: 10.1016/j.bmcl.2013.03.035.
Meilan Huang 1,  Zhuo Li,  Dawei Li,  Steven Walker,  Caroline Greenan,  Richard Kennedy
Affiliations

Affiliation

  • 1 School of Chemistry and Chemical Engineering, Queen's University Belfast, David Keir Building, Stranmillis Road, Belfast BT9 5AG, UK. m.huang@qub.ac.uk
PMID: 23562057 DOI: 10.1016/j.bmcl.2013.03.035
Abstract

We identified nine small-molecule hit compounds of Heat shock 70kDa protein 5 (HSPA5) from cascade in silico screening based on the binding modes of the tetrapeptides derived from the peptide substrate or inhibitors of Escherichia coli HSP70. Two compounds exhibit promising inhibition activities from Cancer cell viability and tumor inhibition assays. The binding modes of the hit compounds provide a platform for development of selective small molecule inhibitors of HSPA5.

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