Design and Synthesis of DiselenoBisBenzamides (DISeBAs) as Nucleocapsid Protein 7 (NCp7) Inhibitors with anti-HIV Activity

J Med Chem. 2015 Dec 24;58(24):9601-14. doi: 10.1021/acs.jmedchem.5b01183. Epub 2015 Dec 10.

Abstract

The interest in the synthesis of Se-containing compounds is growing with the discovery of derivatives exhibiting various biological activities. In this manuscript, we have identified a series of 2,2'-diselenobisbenzamides (DISeBAs) as novel HIV retroviral nucleocapsid protein 7 (NCp7) inhibitors. Because of its pleiotropic functions in the whole viral life cycle and its mutation intolerant nature, NCp7 represents a target of great interest which is not reached by any anti-HIV agent in clinical use. Using the diselenobisbenzoic scaffold, amino acid, and benzenesulfonamide derivatives were prepared and biologically profiled against different models of HIV infection. The incorporation of amino acids such as glycine and glutamate into DISeBAs 7 and 8 resulted in selective anti-HIV activity against both acutely and chronically infected cells as well as an interesting virucidal effect. DISeBAs demonstrated broad antiretroviral activity, encompassing HIV-1 drug-resistant strains including clinical isolates, as well as simian immunodeficiency virus (SIV). Time of addition experiments, along with the observed dose dependent inhibition of the Gag precursor proper processing, confirmed that their mechanism of action is based on NCp7 inhibition.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anti-HIV Agents / chemistry*
  • Anti-HIV Agents / pharmacology
  • Benzamides / chemistry*
  • Benzamides / pharmacology
  • Cell Line, Tumor
  • Drug Resistance, Viral
  • Glutamic Acid / analogs & derivatives
  • Glutamic Acid / chemistry
  • Glutamic Acid / pharmacology
  • Glycine / analogs & derivatives
  • Glycine / chemistry
  • Glycine / pharmacology
  • HIV-1 / drug effects*
  • HIV-1 / isolation & purification
  • Humans
  • Isoleucine / analogs & derivatives
  • Isoleucine / chemistry
  • Isoleucine / pharmacology
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation
  • Organoselenium Compounds / chemistry*
  • Organoselenium Compounds / pharmacology
  • Simian Immunodeficiency Virus / drug effects
  • Structure-Activity Relationship
  • gag Gene Products, Human Immunodeficiency Virus / antagonists & inhibitors*

Substances

  • Anti-HIV Agents
  • Benzamides
  • NCP7 protein, Human immunodeficiency virus 1
  • Organoselenium Compounds
  • gag Gene Products, Human Immunodeficiency Virus
  • Isoleucine
  • Glutamic Acid
  • Glycine