Ligand Growing Experiments Suggested 4-amino and 4-ureido pyridazin-3(2
FABP4
FABP4 inhibitors
FABP4is
computing assisted molecular design
fatty acid binding protein
pyridazinone
Journal
Pharmaceuticals (Basel, Switzerland)
ISSN: 1424-8247
Titre abrégé: Pharmaceuticals (Basel)
Pays: Switzerland
ID NLM: 101238453
Informations de publication
Date de publication:
28 Oct 2022
28 Oct 2022
Historique:
received:
06
10
2022
revised:
21
10
2022
accepted:
21
10
2022
entrez:
10
11
2022
pubmed:
11
11
2022
medline:
11
11
2022
Statut:
epublish
Résumé
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.
Identifiants
pubmed: 36355506
pii: ph15111335
doi: 10.3390/ph15111335
pmc: PMC9697826
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Coordination for the Improvement of Higher Education Personnel - Brazil
ID : CAPES-PRINT, funding number 88887.570120/2020-00
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