Synthesis and biological evaluation of some N-(3-(1H-tetrazol-5-yl) phenyl)acetamide derivatives as novel non-carboxylic PTP1B inhibitors designed through bioisosteric modulation

Bioorg Chem. 2018 Oct:80:145-150. doi: 10.1016/j.bioorg.2018.06.016. Epub 2018 Jun 8.

Abstract

Described herein is the synthesis and biological evaluation of a series of non-carboxylic inhibitors of Protein Tyrosine Phosphatase 1B designed using bioisosteric replacement strategy. Six N-(3-(1H-tetrazol-5-yl)phenyl)acetamide derivatives designed employing the aforementioned strategy were synthesized and screened for PTP1B inhibitory activity. Among the synthesized compounds, compound NM-03 exhibited the most potent inhibitory activity with IC50 value of 4.48 µM. Docking studies with NM-03 revealed the key interactions with desired amino acids in the binding site of PTP1B. Furthermore, compound NM-03 also elicited good in vivo activity. Taken together, the results of this study establish N-(3-(1H-tetrazole-5-yl)phenyl)-2-(benzo[d]oxazol-2-ylthio)acetamide (NM-03) as a valuable lead molecule with great potential for PTP1B inhibitor development targeting diabetes.

Keywords: Bioisosterism; Diabetes; N-(3-(1H-tetrazol-5-yl)phenyl)acetamide derivatives; Protein Tyrosine Phosphatase 1B.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetamides / chemistry*
  • Acetamides / metabolism
  • Acetamides / therapeutic use
  • Animals
  • Binding Sites
  • Blood Glucose / analysis
  • Diabetes Mellitus, Experimental / chemically induced
  • Diabetes Mellitus, Experimental / drug therapy
  • Drug Design
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / metabolism
  • Enzyme Inhibitors / therapeutic use
  • Glucose Tolerance Test
  • Humans
  • Mice
  • Mice, Inbred C57BL
  • Molecular Docking Simulation
  • Protein Structure, Tertiary
  • Protein Tyrosine Phosphatase, Non-Receptor Type 1 / antagonists & inhibitors
  • Protein Tyrosine Phosphatase, Non-Receptor Type 1 / metabolism*
  • Rats
  • Structure-Activity Relationship
  • Tetrazoles / chemistry

Substances

  • Acetamides
  • Blood Glucose
  • Enzyme Inhibitors
  • Tetrazoles
  • 1H-tetrazole
  • PTPN1 protein, human
  • Protein Tyrosine Phosphatase, Non-Receptor Type 1