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Synthesis and in silico investigation of thiazoles bearing pyrazoles derivatives as anti-inflammatory agents

Paper ID Volume ID Publish Year Pages File Format Full-Text
14933 1362 2016 11 PDF Available
Title
Synthesis and in silico investigation of thiazoles bearing pyrazoles derivatives as anti-inflammatory agents
Abstract

•Efficient one-pot synthesis of thiazole bearing pyrazole derivatives.•Compound showing selective COX-II inhibition.•Molecular docking is in agreement with experimental COX-II assay.•Analysis of protein–ligand interaction patterns with COX-II.

Searching novel, safe and effective anti-inflammatory agents has remained an evolving research enquiry in the mainstream of inflammatory disorders. In the present investigation series of thiazoles bearing pyrazole as a possible pharmacophore were synthesized and assessed for their anti inflammatory activity using in vitro and in vivo methods. In order to decipher the possible anti-inflammatory mechanism of action of the synthesized compounds, cyclooxygenase I and II (COX-I and COX-II) inhibition assays were also carried out. The results obtained clearly focus the significance of compounds 5d, 5h and 5i as selective COX-II inhibitors. Moreover, compound 5h was also identified as a lead molecule for inhibition of the carrageenin induced rat paw edema in animal model studies. Molecular docking results revealed significant interactions of the test compounds with the active site of COX-II, which perhaps can be explored for design and development of novel COX-II selective anti-inflammatory agents.

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Keywords
AA, arachidonic acid; COX, cyclooxygenase; EPA, eicosapentaenoic acid; NSAIDs, nonsteroidal anti-inflammatory drugs; PGs, prostaglandins; PGI, prostacyclin; TXA, thromboxaneAnti-inflammatory; COX; In vivo; In silico; Pyrazole; Thiazole
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Synthesis and in silico investigation of thiazoles bearing pyrazoles derivatives as anti-inflammatory agents
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Publisher
Database: Elsevier - ScienceDirect
Journal: Computational Biology and Chemistry - Volume 61, April 2016, Pages 86–96
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us