Development of 1,8-naphthalimides as clathrin inhibitors

J Med Chem. 2014 Jan 9;57(1):131-43. doi: 10.1021/jm4015263. Epub 2013 Dec 18.

Abstract

We reported the first small molecule inhibitors of the interaction between the clathrin N-terminal domain (TD) and endocyctic accessory proteins (i.e., clathrin inhibition1). Initial screening of a ∼17 000 small molecule ChemBioNet library identified 1. Screening of an existing in-house propriety library identified four substituted 1,8-napthalimides as ∼80-120 μM clathrin inhibitors. Focused library development gave 3-sulfo-N-(4-aminobenzyl)-1,8-naphthalimide, potassium salt (18, IC50 ≈ 18 μM). A second library targeting the 4-aminobenzyl moiety was developed, and four analogues displayed comparable activity (26, 27, 28, 34 with IC50 values of 22, 16, 15, and 15 μM respectively) with a further four (24, 25, 32, 33) more active than 18 with IC50 values of 10, 6.9, 12, and 10 μM, respectively. Docking studies rationalized the structure-activity relationship (SAR) with the biological data. 3-Sulfo-N-benzyl-1,8-naphthalimide, potassium salt (25) with an IC50 ≈ 6.9 μM, is the most potent clathrin terminal domain-amphiphysin inhibitor reported to date.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Clathrin / antagonists & inhibitors*
  • Models, Molecular
  • Molecular Docking Simulation
  • Naphthalimides / chemical synthesis*
  • Naphthalimides / chemistry
  • Naphthalimides / pharmacology
  • Structure-Activity Relationship

Substances

  • Clathrin
  • Naphthalimides