Molecular modeling, enzyme activity, anti-inflammatory and antiarthritic activities of newly synthesized quinazoline derivatives. (November 2017)

• Record Type: Journal Article
• Authors: Abuelizz, Hatem A.; Hassane, Anouar El; Marzouk, Mohamed; Ezzeldin, Essam; Ali, Azza A; Al-Salahi, Rashad
• Is Part Of: Future medicinal chemistry. Volume 9:Number 17(2017)
• Page Start: 1995
• Page End: 2009
• Publication Date: 2017-11
• Subjects: 2-thioxoquinazolin-4-(3H)-one -- antiarthritic -- anti-inflammatory -- molecular modeling; Pharmaceutical chemistry -- Periodicals; 615.19005
• DOI: 10.4155/fmc-2017-0157
• Languages: English
• ISSNs: 1756-8919

Abstract

Aim: 16 thioxoquinazolines were evaluated in vivo for anti-inflammatory activity using carrageenan-induced paw edema assay.Results: In particular, out of the targets (1–16 ), compounds4 and6 displayed the highest anti-inflammatory activity (≥80%) and furtherly tested against complete Freund's adjuvant-induced arthritic rats. Significant reduction in the serum level of IL-1β, COX-2 and prostaglandin E2 in the complete Freund's adjuvant rats is demonstrated by compounds4 and6. Furthermore, compound4 showed non-selective activity against COX-1 and COX 2, however, compound6 was specific toward COX-2. Molecular docking study has demonstrated the possible binding modes of the active quinazolines4 and6 in the COX-2 active site.Conclusion: These targets could be used as templates for further development of new derivatives with potent anti-inflammatory activity.