title: Novel anti-inflammatory agents based on pyrazole based dimeric compounds; design, synthesis, docking and in vivo activity.
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.
authors.affiliation: Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India. tashish2002@yahoo.com
authors.forename: Ashish Kumar
authors.initials: AK
authors.lastname: Tewari
authors.forename: Priyanka
authors.initials: P
authors.lastname: Srivastava
authors.forename: Ved Prakash
authors.initials: VP
authors.lastname: Singh
authors.forename: Amit
authors.initials: A
authors.lastname: Singh
authors.forename: Raj Kumar
authors.initials: RK
authors.lastname: Goel
authors.forename: Chethampadi Gopi
authors.initials: CG
authors.lastname: Mohan
mesh_terms: D000818:Animals; D000893:Anti-Inflammatory Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D002351:Carrageenan; D020134:Catalytic Domain; D051546:Cyclooxygenase 2 / Q000737:chemistry / Q000494:pharmacology; D019281:Dimerization; D015195:Drug Design; D004487:Edema / Q000139:chemically induced / Q000188:drug therapy; D005260:Female; D008297:Male; D008958:Models, Molecular; D015394:Molecular Structure; D011720:Pyrazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D051381:Rats; D017208:Rats, Wistar; D040521:Subcutaneous Tissue / Q000187:drug effects*
chemical_list: D000893:Anti-Inflammatory Agents; D011720:Pyrazoles; D002351:Carrageenan; D051546:Cyclooxygenase 2