Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine

J Med Chem. 2018 Jun 28;61(12):5138-5153. doi: 10.1021/acs.jmedchem.7b01709. Epub 2018 Jun 11.

Abstract

The emergence of drug-resistant HIV from a widespread antiviral chemotherapy targeting HIV protease in the past decades is unavoidable and provides a challenge to develop alternative inhibitors. We synthesized a series of allophenylnorstatine-based peptidomimetics with various P3, P2, and P2́ moieties. The derivatives with P2 tetrahydrofuranylglycine (Thfg) were found to be potent against wild type HIV-1 protease and the virus, leading to a highly potent compound 21f (KNI-1657) against lopinavir/ritonavir- or darunavir-resistant strains. Co-crystal structures of 21f and the wild-type protease revealed numerous key hydrogen bonding interactions with Thfg. These results suggest that the strategy to design allophenylnorstatine-based peptidomimetics combined with Thfg residue would be promising for generating candidates to overcome multidrug resistance.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Darunavir / pharmacology
  • Drug Resistance, Viral / drug effects*
  • Glycine / chemistry
  • HIV Protease / chemistry
  • HIV Protease / metabolism
  • HIV Protease Inhibitors / chemistry*
  • HIV Protease Inhibitors / pharmacology*
  • HIV-1 / drug effects*
  • Humans
  • Lopinavir / pharmacology
  • Peptidomimetics / chemistry
  • Peptidomimetics / pharmacology*
  • Phenylbutyrates / chemistry
  • Serum / metabolism
  • Structure-Activity Relationship

Substances

  • HIV Protease Inhibitors
  • Peptidomimetics
  • Phenylbutyrates
  • Lopinavir
  • 3-amino-2-hydroxy-4-phenylbutanoic acid
  • HIV Protease
  • p16 protease, Human immunodeficiency virus 1
  • Glycine
  • Darunavir