Optimization of M3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD

J Med Chem. 2023 Aug 24;66(16):11476-11497. doi: 10.1021/acs.jmedchem.3c01012. Epub 2023 Aug 10.

Abstract

Aiming at the inhaled treatment of pulmonary diseases, the optimization process of the previously reported MAPI compound 92a is herein described. The project was focused on overcoming the chemical stability issue and achieving a balanced bronchodilator/anti-inflammatory profile in rats in order to be confident in a clinical effect without having to overdose at one of the biological targets. The chemical strategy was based on fine-tuning of the substitution pattern in the muscarinic and PDE4 structural portions of the dual pharmacology compounds, also making use of the analysis of a proprietary crystal structure in the PDE4 catalytic site. Compound 10f was identified as a chemically stable, potent, and in vivo balanced MAPI lead compound, as assessed in bronchoconstriction and inflammation assays in rats after intratracheal administration. After the in-depth investigation of the pharmacological and solid-state profile, 10f proved to be safe and suitable for development.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Anti-Inflammatory Agents / pharmacology
  • Bronchodilator Agents / pharmacology
  • Bronchodilator Agents / therapeutic use
  • Phosphodiesterase 4 Inhibitors* / pharmacology
  • Phosphodiesterase 4 Inhibitors* / therapeutic use
  • Pulmonary Disease, Chronic Obstructive* / drug therapy
  • Rats

Substances

  • Phosphodiesterase 4 Inhibitors
  • microbial alkaline proteinase inhibitor
  • Bronchodilator Agents
  • Anti-Inflammatory Agents