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Novel anti-inflammatory agents based on pyrazole based dimeric compounds; design, synthesis, docking and in vivo
Ashish Kumar Tewari1, Priyanka Srivastava, Ved Prakash Singh
1Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India. tashish2002@yahoo.com
Abstract:
Series of pyrazole ester prodrugs analogues have been synthesized and found to contain highly potent inhibitors of the cyclooxygenase-2 (COX-2) enzyme. The paper describes synthesis of the target pyrazole analogues. The structure of the synthesized mutual ester prodrugs (6-8c) were confirmed by (1)H-, (13)C-NMR mass spectroscopy (MS) and their purity were ascertained by TLC and elemental analyses. The biological in vivo evaluation of these compounds in experimental models (carrageenan-induced oedema) proved the presence of anti-inflammatory activity. Docking studies into the catalytic site of COX-2 were used to identify potential anti-inflammatory lead compounds. One lead derivative was chosen endowed with good binding energies.
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