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

Medicinal Chemistry Research
2012.0

Abstract

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 antiinflammatory activity as well as the best binding profiles into the COX-2 binding site.

Knowledge Graph

Similar Paper

Synthesis, molecular modeling and anti-inflammatory screening of new 1,2,3-benzotriazinone derivatives
Medicinal Chemistry Research 2012.0
Synthesis of novel 1,2,3-triazole based benzoxazolinones: Their TNF-α based molecular docking with in-vivo anti-inflammatory, antinociceptive activities and ulcerogenic risk evaluation
European Journal of Medicinal Chemistry 2013.0
Novel 1-[4-(Aminosulfonyl)phenyl]-1H-1,2,4-triazole derivatives with remarkable selective COX-2 inhibition: Design, synthesis, molecular docking, anti-inflammatory and ulcerogenicity studies
European Journal of Medicinal Chemistry 2014.0
Novel benzenesulfonamide and 1,2-benzisothiazol-3(2H)-one-1,1-dioxide derivatives as potential selective COX-2 inhibitors
European Journal of Medicinal Chemistry 2019.0
Synthesis, characterization, evaluation and molecular dynamics studies of 5, 6–diphenyl–1,2,4–triazin–3(2 H )–one derivatives bearing 5–substituted 1,3,4–oxadiazole as potential anti–inflammatory and analgesic agents
European Journal of Medicinal Chemistry 2015.0
Synthesis of phenylpiperazine derivatives of 1,4-benzodioxan as selective COX-2 inhibitors and anti-inflammatory agents
Bioorganic & Medicinal Chemistry 2016.0
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamides: Synthesis, molecular modeling, evaluation of their anti-inflammatory activity and ulcerogenicity
European Journal of Medicinal Chemistry 2014.0
Novel thiazolo[3,2-b]-1,2,4-triazoles derived from naproxen with analgesic/anti-inflammatory properties: Synthesis, biological evaluation and molecular modeling studies
Bioorganic & Medicinal Chemistry 2015.0
Synthesis of novel 2-mercapto benzothiazole and 1,2,3-triazole based bis-heterocycles: Their anti-inflammatory and anti-nociceptive activities
European Journal of Medicinal Chemistry 2012.0
Synthesis of novel 2-mercaptobenzoxazole based 1,2,3-triazoles as inhibitors of proinflammatory cytokines and suppressors of COX-2 gene expression
European Journal of Medicinal Chemistry 2014.0