Synthesis, docking studies and anti-inflammatory activity of 4, 5, 6, 7-tetrahydro-2H-indazole derivatives

…, M Perfumi, L Mattioli, F Rismondo, G Cravotto

Index: Rosati, Ornelio; Curini, Massimo; Marcotullio, Maria Carla; Macchiarulo, Antonio; Perfumi, Marina; Mattioli, Laura; Rismondo, Francesco; Cravotto, Giancarlo Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 10 p. 3463 - 3473

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Citation Number: 45

Abstract

A regioselective synthesis of 2, 3-disubstituted tetrahydro-2H-indazols, mediated by α- zirconium sulfophenylphosphonate-methanephosphonate, was reported. Docking studies into the catalytic site of COX-2 were used to identify potential anti-inflammatory lead compounds. Two lead derivatives were chosen endowed with good binding energies and good ADME profiling. The biological in vivo evaluation of these compounds in two ...