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Synthesis, molecular modeling and anti-inflammatory screening of new 1,2,3-benzotriazinone derivatives
Journal article   Peer reviewed

Synthesis, molecular modeling and anti-inflammatory screening of new 1,2,3-benzotriazinone derivatives

Tarek S. Ibrahim, Adel A. Rashad, Zakaria K. Abdel-Samii, Said A. El-Feky, Mohammed K. Abdel-Hamid and Waleed Barakat
Medicinal chemistry research, Vol.21(12), pp.4369-4380
01/12/2012

Abstract

Chemistry, Medicinal Life Sciences & Biomedicine Pharmacology & Pharmacy Science & Technology
Several new 4(3H)-1,2,3-benzotriazinone derivatives were synthesized and tested for their anti-inflammatory activity and ulcerogenic effect. A docking study on the COX-2 binding pocket has been carried out for the target compounds to rationalize the possible selectivity. Among the tested compounds, the benzotriazinones linked to either thiadiazole (8) or oxadiazole (9) evoked the highest anti-inflammatory activity as well as the best binding profiles into the COX-2 binding site.

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