Abstract

Pyridazinone derivatives are a great template for developing cyclooxygenase-2 (COX-2) inhibitors. The 2-butyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one was prepared by reacting 6-phenyl-4,5-dihydropyridazin-3(2H)-one with n-butyl bromide in the presence of potassium carbonate. The structure of the compound was confirmed based on its FTIR, 1H-NMR, 13C-NMR, and Mass data. The molecular docking studies assessed the COX-2 binding capability of the synthesized compound. The in silico physicochemical and pharmacokinetic parameters of this compound concerning selected drugs were also calculated. The COX-2/COX-1 analysis revealed the synthesized compound as a novel potent COX-2 inhibitor, in comparison to indomethacin, with a promising physicochemical and pharmacokinetic profile.

Highlights

  • IntroductionThe pyridazinone ring is part of many clinically used drugs of different therapeutic categories, The pyridazinone ring is 1), part of many clinically used drugs of different therapeutic including emorfazone

  • The pyridazinone ring is part of many clinically used drugs of different therapeutic categories, The pyridazinone ring is 1), part of many clinically used drugs of different therapeutic including emorfazone (Figure which is used as an analgesic/anti-inflammatory drug [1].categories, This ring including emorfazone (Figure1), which is used as an analgesic/anti-inflammatory drug [1]

  • Recent studies studies have revealed that pyridazinone derivatives are promising templates for evolving COX-2 have revealed inhibitors

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Summary

Introduction

The pyridazinone ring is part of many clinically used drugs of different therapeutic categories, The pyridazinone ring is 1), part of many clinically used drugs of different therapeutic including emorfazone 1), which is used as an analgesic/anti-inflammatory drug [1] This ring is considered as a pharmacophore to develop bioactive molecules [2]. The increased level of cyclooxygenase-2 (COX-2) is liable for the generation of the inflammatory procedures in a cell [3]. Recent is considered as an important therapeutic target to develop anti-inflammatory drugs. Recent studies studies have revealed that pyridazinone derivatives are promising templates for evolving COX-2 have revealed inhibitors [4]. In [5] the author about the synthesis, spectral analysis, in silico studies, the compound. In [5] is theexplicitly author issilent explicitly silent about the synthesis, spectral analysis, in silico and studies, COX-2 inhibitory profile of the titled compound. The author reports these aspects of the titled compound (after this compound 2) in this communication

Chemistry
Molecular
Physicochemical Properties and Drug-Likeness Analysis
In Vitro COX-1 and COX-2 Inhibitory Activity
General
Synthesis of of
Determination of the Physicochemical Properties and Drug-Likeness
In Vitro COX-1 and COX-2 Inhibitory Activity Evaluation
Conclusions

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