Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1247, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2021.131404
Keywords
Synthesis; Anti-inflammatory; Analgesic; Molecular modeling
Categories
Funding
- government of Yemen
- VGST, Bangalore, under CISEE Programme [VGST/CISEE/282]
- Albaydha University, Yemen
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New derivatives of N'(2-phenoxyacetyl)nicotinohydrazide and N'(2-phenoxyacetyl)isonicotinohydrazide were designed and synthesized as potent anti-inflammatory and analgesic agents. Among them, compound (10e) showed the highest COX-1 inhibition, while compounds (9e) and (10e) exhibited the highest COX-2SI. Molecular Docking Studies were conducted to examine the three-dimensional binding of the ligand to the targeted enzymes.
Inflammation is the complex biological response of vascular tissues, which is partly determined by prostaglandins (PLA(2)). The cyclooxygenase (COX) enzyme exists in two isoforms: COX-1 and COX-2 and by the action of this, the PGs are produced. Besides, nonsteroidal anti-inflammatory drugs (NSAIDs) are therapeutic agents useful in the treatment of inflammation. Encouraged by this, the new derivatives of N'(2-phenoxyacetyl)nicotinohydrazide 9(a-e) and N'(2-phenoxyacetyl)isonicotinohydrazide 10(a-e) were designed, synthesized, characterized, and identified as remarkable anti-inflammatory and analgesic agents. These compounds were prepared in a series of steps starting with different phenol derivatives. Among the series, compound (10e) showed the highest IC50 value for COX-1 inhibition, whereas compounds (9e) and (10e) exhibited the highest COX-2SI. Further, molecular Docking Studies have been performed for the potent compound to check the three-dimensional geometrical view of the ligand binding to the targeted enzymes. (C) 2021 Elsevier B.V. All rights reserved.
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