Events8th International Electronic Conference on Medicinal Chemistry
Published
This submission belongs to the session S4. Small molecules as drug candidates of the event 8th International Electronic Conference on Medicinal Chemistry
Published date
01 Nov, 2022
Academic Editor
author-avatarMaria Emília Sousa
Citation
Giuseppe Floresta, Letizia Crocetti, Chiara Zagni, Agostino Cilibrizzi, Pyridazin-3(2H)-one as new FABP4 inhibitors suggested by molecular growing experiments, in Proceedings of 8th International Electronic Conference on Medicinal Chemistry, 1 November–30 November 2022, MDPI: Basel, Switzerland, doi: 10.3390/ECMC2022-13445
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Pyridazin-3(2H)-one as new FABP4 inhibitors suggested by molecular growing experiments

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1. Dipartimento di Scienze del Farmaco e della Salute, Università di Catania, UK
2. Dipartimento NEUROFARBA – Pharmaceutical and Nutraceutical Section
3. Dipartimento di Scienze del Farmaco e della Salute, Università di Catania
4. King’s College London, Institute of Pharmaceutical Science
Abstract

The therapeutic potential of fatty acid binding protein 4 (FABP4) is widely acknowledged. Currently, there are numerous clinical studies that indicate how fatty acid binding protein 4 inhibitors could be useful in the treatment of various diseases. To identify new and more potent inhibitors, we utilized a two-step computational approach to design novel structures. Through the use of this approach, we were able to identify a new class of FABP4 inhibitors (FABP4i IC50 2.97 to 23.18 µM) that are capable of inhibiting the activity of the protein as low as Arachidonic acid (FABP4i IC50 3.42 ± 0.54 µM). In this communication, we present the detailed structural, biological evaluation as well as the sinthetic procedures of the new pyridazinone-based scaffold FABP4i.

Keywords
Fatty acid binding protein
FABP4
FABP4is
FABP4 inhibitors
pyridazinone
computing assisted molecular design
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