Electronic sculpting of ligand-GPCR subtype selectivity: the case of angiotensin II

ACS Chem Biol. 2014 Jul 18;9(7):1420-5. doi: 10.1021/cb500063y. Epub 2014 May 14.

Abstract

GPCR subtypes possess distinct functional and pharmacological profiles, and thus development of subtype-selective ligands has immense therapeutic potential. This is especially the case for the angiotensin receptor subtypes AT1R and AT2R, where a functional negative control has been described and AT2R activation highlighted as an important cancer drug target. We describe a strategy to fine-tune ligand selectivity for the AT2R/AT1R subtypes through electronic control of ligand aromatic-prolyl interactions. Through this strategy an AT2R high affinity (Ki = 3 nM) agonist analogue that exerted 18,000-fold higher selectivity for AT2R versus AT1R was obtained. We show that this compound is a negative regulator of AT1R signaling since it is able to inhibit MCF-7 breast carcinoma cellular proliferation in the low nanomolar range.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Angiotensin II / analogs & derivatives*
  • Angiotensin II / metabolism
  • Antineoplastic Agents / chemistry*
  • Antineoplastic Agents / pharmacology
  • Breast Neoplasms / drug therapy
  • Breast Neoplasms / metabolism
  • Cell Line, Tumor
  • Cell Proliferation / drug effects
  • Drug Design
  • Female
  • Humans
  • Ligands
  • Molecular Docking Simulation
  • Receptor, Angiotensin, Type 1 / chemistry
  • Receptor, Angiotensin, Type 1 / metabolism
  • Receptor, Angiotensin, Type 2 / agonists*
  • Receptor, Angiotensin, Type 2 / chemistry
  • Receptor, Angiotensin, Type 2 / metabolism*

Substances

  • Antineoplastic Agents
  • Ligands
  • Receptor, Angiotensin, Type 1
  • Receptor, Angiotensin, Type 2
  • Angiotensin II