Identification of novel fluorescent probes preventing PrP^Sc replication in prion diseases

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• 作者：Ludovica Zaccagnini^a ; ¹ ; Simone Brogi^b ; ^c ; ¹ ; Margherita Brindisi^b ; ^c ; Sandra Gemma^b ; ^c ; ^{gemma@unisi.it} ; Giulia Chemi^b ; ^c ; Giuseppe Legname^a ; ^{legname@sissa.it} ; Giuseppe Campiani^b ; ^c ; Stefania Butini^b ; ^c
• 关键词：Pharmacophore modeling ; 3D-QSAR ; Prion ; Anti-Prion agents ; Theranostic tools
• 刊名：European Journal of Medicinal Chemistry
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：127
• 期：Complete
• 页码：859-873
• 全文大小：3770 K
• 卷排序：127

文摘

A 3D-QSAR model was generated for the prediction of anti-prion activity. The model was used in virtual screening protocol coupled with molecular docking on PrPC. Nine out of eleven selected compounds had a non-toxic profile and showed in vitro anti-prion activity. Compound 96 is a promising hit interfering with pathological transition of PrPC to PrPSc. 96 displays a fluorescence staining profile suggesting its application as a diagnostic for TSE.