Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections

J Med Chem. 2020 Jul 9;63(13):7211-7225. doi: 10.1021/acs.jmedchem.0c00463. Epub 2020 Jun 17.

Abstract

The recent Ebola epidemics in West Africa underscore the great need for effective and practical therapies for future Ebola virus outbreaks. We have discovered a new series of remarkably potent small molecule inhibitors of Ebola virus entry. These 4-(aminomethyl)benzamide-based inhibitors are also effective against Marburg virus. Synthetic routes to these compounds allowed for the preparation of a wide variety of structures, including a conformationally restrained subset of indolines (compounds 41-50). Compounds 20, 23, 32, 33, and 35 are superior inhibitors of Ebola (Mayinga) and Marburg (Angola) infectious viruses. Representative compounds (20, 32, and 35) have shown good metabolic stability in plasma and liver microsomes (rat and human), and 32 did not inhibit CYP3A4 nor CYP2C9. These 4-(aminomethyl)benzamides are suitable for further optimization as inhibitors of filovirus entry, with the potential to be developed as therapeutic agents for the treatment and control of Ebola virus infections.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • A549 Cells
  • Animals
  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacology*
  • Benzamides / chemistry
  • Benzamides / pharmacology*
  • Chlorocebus aethiops
  • Cytochrome P-450 CYP3A Inhibitors / chemistry
  • Cytochrome P-450 CYP3A Inhibitors / pharmacology
  • Drug Evaluation, Preclinical
  • Hemorrhagic Fever, Ebola / virology*
  • Humans
  • Marburg Virus Disease / virology*
  • Microsomes, Liver / drug effects
  • Molecular Docking Simulation
  • Structure-Activity Relationship
  • Toremifene / chemistry
  • Toremifene / metabolism
  • Toremifene / pharmacology
  • Vero Cells
  • Viral Envelope Proteins / chemistry
  • Viral Envelope Proteins / metabolism
  • Virus Internalization / drug effects*

Substances

  • Antiviral Agents
  • Benzamides
  • Cytochrome P-450 CYP3A Inhibitors
  • Viral Envelope Proteins
  • envelope glycoprotein, Ebola virus
  • Toremifene