Ligand Growing Experiments Suggested 4-amino and 4-ureido pyridazin-3(2H)-one as Novel Scaffold for FABP4 Inhibition

Letizia Crocetti, Giuseppe Floresta, Chiara Zagni, Divya Merugu, Francesca Mazzacuva, Renan Rodrigues de Oliveira Silva, Claudia Vergelli, Maria Paola Giovannoni, Agostino Cilibrizzi

Research output: Contribution to journalArticlepeer-review

Abstract

Fatty acid binding protein (FABP4) inhibitors are of synthetic and therapeutic interest and ongoing clinical studies indicate that they may be a promise for the treatment of cancer, as well as other diseases. As part of a broader research effort to develop more effective FABP4 inhibitors, we sought to identify new structures through a two-step computing assisted molecular design based on the established scaffold of a co-crystallized ligand. Novel and potent FABP4 inhibitors have been developed using this approach and herein we report the synthesis, biological evaluation and molecular docking of the 4-amino and 4-ureido pyridazinone-based series.

Original languageEnglish
Article number1335
JournalPharmaceuticals
Volume15
Issue number11
Early online date28 Oct 2022
DOIs
Publication statusPublished - 30 Nov 2022
Externally publishedYes

Keywords

  • computing assisted molecular design
  • FABP4
  • FABP4 inhibitors
  • FABP4is
  • fatty acid binding protein
  • pyridazinone

ASJC Scopus subject areas

  • Molecular Medicine
  • Pharmaceutical Science
  • Drug Discovery

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