title: Molecular docking design and one-pot expeditious synthesis of novel 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines as anti-inflammatory agents.
abstract: A series of novel 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines were designed as COX-2 inhibitors by molecular docking studies and their synthesis was accomplished via an expeditious one-pot reaction. Structures of the compounds were established by NMR ((1)H-(13)C), IR spectroscopy and high resolution mass spectrometry. All the eleven compounds have been screened for their in vivo anti-inflammatory activity on rats by carrageenan-induced rat paw edema assay. Correlation studies of calculated moldock score and observed percentage inhibition have also been carried out which concluded that the synthesized 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines act as potent anti-inflammatory agents up to the 4th hour of study.
authors.affiliation: Department of Chemistry, Kurukshetra University, Kurukshetra 136119, Haryana, India. Electronic address: ranjanaaggarwal67@gmail.com.
authors.forename: Ranjana
authors.initials: R
authors.lastname: Aggarwal
authors.affiliation: Department of Chemistry, Kurukshetra University, Kurukshetra 136119, Haryana, India.
authors.forename: Gulshan
authors.initials: G
authors.lastname: Singh
authors.affiliation: Department of Pharmaceutical Sciences, Kurukshetra University, Kurukshetra 136119, India.
authors.forename: Pawan
authors.initials: P
authors.lastname: Kaushik
authors.affiliation: Department of Pharmaceutical Sciences, Kurukshetra University, Kurukshetra 136119, India.
authors.forename: Dhirender
authors.initials: D
authors.lastname: Kaushik
authors.affiliation: Department of Pharmaceutical Sciences, Kurukshetra University, Kurukshetra 136119, India.
authors.forename: Deepika
authors.initials: D
authors.lastname: Paliwal
authors.affiliation: Department of Pharmaceutical Sciences, Kurukshetra University, Kurukshetra 136119, India.
authors.forename: Ajay
authors.initials: A
authors.lastname: Kumar
mesh_terms: D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D002351:Carrageenan; D051546:Cyclooxygenase 2 / Q000378:metabolism; D052246:Cyclooxygenase 2 Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D004305:Dose-Response Relationship, Drug; D015195:Drug Design; D004487:Edema / Q000139:chemically induced / Q000188:drug therapy*; D008297:Male; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D011720:Pyrazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D011743:Pyrimidines / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D051381:Rats; D017208:Rats, Wistar; D013329:Structure-Activity Relationship
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D052246:Cyclooxygenase 2 Inhibitors; D011720:Pyrazoles; D011743:Pyrimidines; D002351:Carrageenan; D051546:Cyclooxygenase 2
keywords: 2,5-Diarylpyrazolo[1,5-a]pyrimidin-7-amines; 3-Aryl-3-oxopropanonitriles; Anti-inflammatory agents; Hydrazine hydrate; Molecular docking; p-Toluenesulphonic acid