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Fig. 3 | AMB Express

Fig. 3

From: Identification of the natural product berberine as an antiviral drug

Fig. 3

Binding mode and interaction map. a Molecular docking of berberine into the 6-HB structure. The location of the potential interacting eight residues were highlighted. Berberine is colored by atom type: Carbon (black), oxygen (red), nitrogen (blue). The hydrogen bond was drawn as green dotted lines. Distance (Å) between interacting atoms was marked in green. b 3D representation of different interactions of compound berberine with residues in the binding sites of NHR and CHR of gp41. The highlighted orange spheres represented T-639 and red spheres represented oxygen atom (O). c Binding mode of compound berberine in the active region of gp41. The NHR and CHR helices were indicated in silver, the compound was rendered in yellow stick model and the residues were rendered in green, blue and purple sticks, respectively. d An enlarged detail view for C. The binding sites of eight amino acid residues were indicated in green, orange and blue, respectively

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