Article
Identification of Novel Influenza Polymerase PB2 Inhibitors Using a Cascade Docking Virtual Screening Approach.
Molecules (Basel, Switzerland) - 13 Nov 2020
Zhao Lei, Che Jinjing, Zhang Qian, Li Yiming, Guo Xiaojia, Chen Lixia, Li Hua, Cao Ruiyuan, Li Xingzhou
Abstract excerpt
To discover novel inhibitors that target the influenza polymerase basic protein 2 (PB2) cap-binding domain (CBD), commercial ChemBridge compound libraries containing 384,796 compounds were screened using a cascade docking of LibDock-LigandFit-GOLD, and 60 compounds were selected for testing with cytopathic effect (CPE) inhibition assays and surface plasmon resonance (SPR) assay. Ten compounds were identified to...
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