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

Autor:	Letizia Crocetti, Giuseppe Floresta, Chiara Zagni, Divya Merugu, Francesca Mazzacuva, Renan Rodrigues de Oliveira Silva, Claudia Vergelli, Maria Paola Giovannoni, Agostino Cilibrizzi
Jazyk:	angličtina
Rok vydání:	2022
Předmět:	fatty acid binding protein FABP4 FABP4is FABP4 inhibitors pyridazinone computing assisted molecular design Medicine Pharmacy and materia medica RS1-441
Zdroj:	Pharmaceuticals, Vol 15, Iss 11, p 1335 (2022)
Druh dokumentu:	article
ISSN:	1424-8247
DOI:	10.3390/ph15111335
Popis:	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.
Databáze:	Directory of Open Access Journals
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