Discovery of potent p38 alpha MAPK inhibitors through a funnel like workflow combining in silico screening and in vitro validation

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作者： Astolfi, Andrea ^[1] ; Kudolo, Mark ^[2] ; Brea, Jose ^[3] ; Manni, Giorgia ^[4] ; Manfroni, Giuseppe ; Palazzotti, Deborah ; Sabatini, Stefano ; Cecchetti, Federica ; Felicetti, Tommaso ; Cannalire, Rolando ; Massari, Serena ; Tabarrini, Oriana ; Loza, Maria Isabel ; Fallarino, Francesca ; Cecchetti, Violetta ; Laufer, Stefan A. ; Barreca, Maria Letizia

作者单位： Eberhard Karls Univ Tuebingen, Inst Pharm, Dept Pharmaceut & Med Chem, Morgenstelle 8, D-72076 ^[1] Univ Perugia, Dept Pharmaceut Sci, Dept Excellence 2018 2022, Via Liceo 1, I-06123 Perugia, Italy ^[2] Univ Perugia, Dept Expt Med, Piazzale Gambuli, I-06100 Perugia, Italy ^[3] Univ Santiago de Compostela, CIMUS Res Ctr, Avda Barcelona S-N,Planta 3,Despacho1, Santiago De ^[4]

关键词 p38 alpha MAPK inhibitors 1 4-Benzodioxane Kinase Virtual screening Pharmacophore modeling KNIME

发布时间 2020-04-10

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