title: Synthesis, molecular docking and anti-inflammatory screening of novel quinoline incorporated pyrazole derivatives using the Pfitzinger reaction II.
abstract: In continuation of our study of novel quinolines with anti-inflammatory activity using the Pfitzinger reaction, several new quinoline derivatives were synthesized and tested for their anti-inflammatory and ulcerogenic effect. A docking study on the COX-2 binding pocket was carried out for the target compounds to rationalize the possible selectivity of them against COX-2 enzyme. The most active compounds (5a, 8a and 11a) were found to be superior to celecoxib. Compound 11a demonstrated the highest anti-inflammatory activity as well as the best binding profiles into the COX-2 binding site. Moreover, compounds 9c, 9e, 10a and 11a were devoid of ulcerogenic activity.
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Northern Border University, PO Box 840, Rafha 91911, Saudi Arabia; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig, Egypt. Electronic address: drsaid.elfeky@yahoo.com.
authors.forename: Said A H
authors.initials: SA
authors.lastname: El-Feky
authors.affiliation: Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig, Egypt.
authors.forename: Zakaria K
authors.initials: ZK
authors.lastname: Abd El-Samii
authors.affiliation: Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig, Egypt.
authors.forename: Nermine A
authors.initials: NA
authors.lastname: Osman
authors.affiliation: Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig, Egypt.
authors.forename: Jasmine
authors.initials: J
authors.lastname: Lashine
authors.affiliation: Department of Pharmacology, Faculty of Veterinary Medicine, Zagazig University, Zagazig, Egypt.
authors.forename: Mohamed A
authors.initials: MA
authors.lastname: Kamel
authors.affiliation: Department of Chemistry, Faculty of Arts and Science, Northern Border University, PO Box 840, Rafha 91911, Saudi Arabia; Department of Chemistry, Faculty of Science, Al-Azhar University, Nasr City, Cairo 11284, Egypt.
authors.forename: Hamdy Kh
authors.initials: HKh
authors.lastname: Thabet
mesh_terms: D000818:Animals; D000893:Anti-Inflammatory Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D051546:Cyclooxygenase 2 / Q000737:chemistry; D052246:Cyclooxygenase 2 Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D062105:Molecular Docking Simulation; D066244:Proton Magnetic Resonance Spectroscopy; D011720:Pyrazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D011804:Quinolines / Q000737:chemistry*; D051381:Rats; D013055:Spectrophotometry, Infrared
chemical_list: D000893:Anti-Inflammatory Agents; D052246:Cyclooxygenase 2 Inhibitors; D011720:Pyrazoles; D011804:Quinolines; D051546:Cyclooxygenase 2
keywords: Anti-inflammatory; Pyrazoles; Quinoline derivatives; Ulcerogenic activity