Synthesis,Molecular Docking and Potential Antioxidant Activity of Di/Trisubstituted Pyridazinone Derivatives |
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Authors: | Sukhbir Lal Khokra Shah Alam Khan Pramila Thakur Deepika Chowdhary Aftab Ahmad Asif Husain |
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Affiliation: | 1. Institute of Pharmaceutical Sciences, Kurukshetra University, Kurukshetra‐136119, Haryana, India;2. Department of Pharmacy, Oman Medical College, Muscat, Oman;3. Health Information Technology Department, Jeddah Community College, King Abdulaziz University, Jeddah‐21589, KSA;4. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Jamia Hamdard University, New Delhi‐110062, India |
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Abstract: | A number of pyridazinone derivatives bearing substituted benzylidene and heterocyclic/aromatic rings at 4th and 6th positions, respectively were synthesized in good to moderate yields and screened for antioxidant activity. Antioxidant activity of pyridazinone derivatives was evaluated by using several in vitro radical scavenging methods such as 1,1‐diphenylpicrylhydrazyl (DPPH), hydrogen peroxide (H2O2), nitric oxide (NO), reducing power, and metal chelating assay etc. Molegro virtual docker software was used to study the binding affinity of the title compounds with the xanthine oxidoreductase enzyme. Amongst the tested compounds, 5a, 5d, 5g & 5j were found to exhibit excellent antioxidant activity at par with the positive control, ascorbic acid. The molecular docking studies of these compounds demonstrated a good selectivity profile with xanthine oxidoreductase receptors. A preliminary study of the structural‐activity relationship showed that the presence of electron withdrawing group and heterocyclic ring on pyridazinone nucleus are associated with the best potency and selectivity profile. It could be proposed that xanthine oxidoreductase receptor may be involved in observed antioxidant activity of pyridazinone derivatives bearing aromatic ring and benzylidene substituents and thus the synthesized compounds are worthy of further exploration. |
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Keywords: | Antioxidant activity DPPH Molecular docking Pyridazinone Xanthine oxidoreductase |
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