title: Synthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents.
abstract: A novel series of pyrazole derivatives were synthesized and evaluated in vivo for their anti-inflammatory activity in carrageenan-induced rat paw edema model. Among all compounds, 5a, and 5b showed comparable anti-inflammatory activity to Nimesulide, the standard drug taken for the studies. In silico (docking) studies were carried out to investigate the theoretical binding mode of the compounds to target the cyclooxygenase (COX-2) using Autodock 4.2.
authors.affiliation: Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India. Electronic address: tashish2002@yahoo.com.
authors.forename: Ashish Kumar
authors.initials: AK
authors.lastname: Tewari
authors.affiliation: Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Ved Prakash
authors.initials: VP
authors.lastname: Singh
authors.affiliation: Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Pratima
authors.initials: P
authors.lastname: Yadav
authors.affiliation: Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Garima
authors.initials: G
authors.lastname: Gupta
authors.affiliation: Department of Pharmacology, IMS, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Amit
authors.initials: A
authors.lastname: Singh
authors.affiliation: Department of Pharmacology, IMS, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Raj Kumar
authors.initials: RK
authors.lastname: Goel
authors.affiliation: Amrita Centre for Nanosciences and Molecular Medicine (ACNSMM), Amrita Institute of Medical Sciences & Research Centre, Ponekkara, Kochi 682 041, Kerala State, India.
authors.forename: Pravin
authors.initials: P
authors.lastname: Shinde
authors.affiliation: Amrita Centre for Nanosciences and Molecular Medicine (ACNSMM), Amrita Institute of Medical Sciences & Research Centre, Ponekkara, Kochi 682 041, Kerala State, India.
authors.forename: C Gopi
authors.initials: CG
authors.lastname: Mohan
mesh_terms: D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D051545:Cyclooxygenase 1 / Q000378:metabolism; D051546:Cyclooxygenase 2 / Q000378:metabolism; D016861:Cyclooxygenase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D004305:Dose-Response Relationship, Drug; D004487:Edema / Q000188:drug therapy*; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure; D011720:Pyrazoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D051381:Rats; D017208:Rats, Wistar; D013329:Structure-Activity Relationship
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D016861:Cyclooxygenase Inhibitors; D011720:Pyrazoles; D051545:Cyclooxygenase 1; D051546:Cyclooxygenase 2
keywords: COX-2 inhibitors; Drug design; Inflammation; Molecular modeling; Pyrazole