3D-QSAR assisted identification of FABP4 inhibitors: An effective scaffold hopping analysis/QSAR evaluation.

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作者： Giuseppe,Floresta ^[1] ; Agostino,Cilibrizzi ^[2] ; Vincenzo,Abbate ^[3] ; Ambra,Spampinato ^[4] ; Chiara,Zagni ^[4] ; Antonio,Rescifina ^[5]

作者单位： Department of Drug Sciences, University of Catania, V.le A. Doria 6, 95125 Catania, Italy; Department of Chemical Sciences, University of Catania, V.le A. Doria, 95125 Catania, Italy; Institute of Pharmaceutical Science, King's College London, Stamford Street, London SE1 9NH, UK. Electronic address: giuseppe.floresta@unict.it. ^[1] Institute of Pharmaceutical Science, King's College London, Stamford Street, London SE1 9NH, UK; King's Forensics, School of Population Health & Environmental Sciences, King's College London, Franklin-Wilkins Building, 150 Stamford Street, London SE1 9NH, UK. ^[2] King's Forensics, School of Population Health & Environmental Sciences, King's College London, Franklin-Wilkins Building, 150 Stamford Street, London SE1 9NH, UK. ^[3] Department of Drug Sciences, University of Catania, V.le A. Doria 6, 95125 Catania, Italy. ^[4] Department of Drug Sciences, University of Catania, V.le A. Doria 6, 95125 Catania, Italy. Electronic address: arescifina@unict.it. ^[5]

关键词 3D-QSAR A-FABP BMS309403 analogs FABP4 inhibitors Forge and Spark software Scaffold-hopping Thiazole Triazole aP2