Figure 7 | Scientific Reports

Figure 7

From: Computational screening of medicinal plant phytochemicals to discover potent pan-serotype inhibitors against dengue virus

Figure 7The alternative text for this image may have been generated using AI.

(A) Docked Canthin-6-one 9-O-beta-glucopyranoside in complex with NS5 SAM pocket (PDB ID: 3P97); showing hydrogen bonds to the side chain/back-bone of LYS105, to the side chain of ASP131, and to the back-bone of VAL132. (B) Docked Kushenol W in complex with NS5 SAM pocket (PDB ID: 3P97); showing hydrogen bonds to the side chain of THR104, and to the back-bone of ASP146. (C) Docked Kushenol K in complex with NS5 SAM pocket (PDB ID: 3P97); showing hydrogen bonds to back-bones of CYS82, GLY85 and ARG84, and to side chains of ASP146 and LYS180. LigX 2D interaction analysis shown at left and 3D interaction analysis shown at right side.

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