Crocetti, Letizia and Floresta, Giuseppe and Zagni, Chiara and Merugu, Divya and Mazzacuva, Francesca and de Oliveira Silva, Renan Rodrigues and Vergelli, Claudia and Giovannoni, Maria Paola and Cilibrizzi, Agostino (2022) Ligand Growing Experiments Suggested 4-amino and 4-ureido pyridazin-3(2H)-one as Novel Scaffold for FABP4 Inhibition. Pharmaceuticals, 15 (11). p. 1335. ISSN 1424-8247
pharmaceuticals-15-01335.pdf - Published Version
Download (5MB)
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.
Item Type: | Article |
---|---|
Uncontrolled Keywords: | fatty acid binding protein; FABP4; FABP4is; FABP4 inhibitors; pyridazinone; computing assisted molecular design |
Subjects: | Institute Archives > Medical Science |
Depositing User: | Managing Editor |
Date Deposited: | 07 Nov 2022 07:46 |
Last Modified: | 21 Aug 2023 11:13 |
URI: | http://eprint.subtopublish.com/id/eprint/63 |