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. 2015 Mar 27;9:1825–1841. doi: 10.2147/DDDT.S75886

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© 2015 Mirza et al. This work is published by Dove Medical Press Limited, and licensed under Creative Commons Attribution – Non Commercial (unported, v3.0) License

The full terms of the License are available at http://creativecommons.org/licenses/by-nc/3.0/. Non-commercial uses of the work are permitted without any further permission from Dove Medical Press Limited, provided the work is properly attributed.

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Molecular surface representations of NS5B binding pocket with top docked ligands.

Notes: Conformation of top ligands (binding energy >−9 kcal/mol) inside binding pocket shown by sticks in dim gray. The protein-binding pocket is exposed in molecular surface representation (light blue), with the 12 interacting residues within 4 Å from ligand displayed by green sticks. Docking view of naringenin (A), tryphanthrine (B), dicoumarin (C), swertianin (D), diosmetin (E), apigenin (F), honokiol (G), luteolin (H), and thaliporphine (I).

Abbreviation: NS5B, nonstructural protein 5B.