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Image Search Results
Journal: Antimicrobial Agents and Chemotherapy
Article Title: Novel Dengue Virus NS2B/NS3 Protease Inhibitors
doi: 10.1128/AAC.03543-14
Figure Lengend Snippet: Predicted binding modes of compounds 3 and 8. The PIs were docked into DENV-3 PR by the LeadIT-FlexX program. The image was generated with PyMOL. (A) Surface view of the allosteric site with the docked compounds 3 and 8. Ligands are rendered as sticks colored according to the Corey, Pauling, and Koltun (CPK) color scheme, with the exception of carbon atoms (compound 3 in cyan and compound 8 in pink). (B) Binding mode of compound 8 showing the H bonds between two the hydroxyl groups and the amino acids Lys73, Lys74, and Asn152.
Article Snippet: Possible docking modes between ligands and the PR were studied using the FlexX docking approach of the
Techniques: Binding Assay, Generated