Integrated structure-based activity prediction model of benzothiadiazines on various genotypes of HCV NS5b polymerase (1a, 1b and 4) and its application in the …

…, DAA El Ella, KAM Abouzid, AH Mahmoud

文献索引：Ismail, Mohamed A.H.; Abou El Ella, Dalal A.; Abouzid, Khaled A.M.; Mahmoud, Amr H. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 7 p. 2455 - 2478

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被引用次数: 12

摘要

This work presents the first structure-based activity prediction model for benzothiadiazines against various genotypes of HCV NS5b polymerase (1a, 1b and 4). The model is a comprehensive workflow of structure-based field template followed by guided docking. The field template was used as a pre-filter and a tool to provide hits in good orientation and position. It was created based on detailed molecular interaction field analysis which ...