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Figure 2 | BMC Bioinformatics

Figure 2

From: Molecular docking studies of dithionitrobenzoic acid and its related compounds to protein disulfide isomerase: computational screening of inhibitors to HIV-1 entry

Figure 2

Representative docking redox-inhibitory models of. (A) DTNB, (B) NSC695265 (5-(3-carboxy-4-nitro-phenyl) sulfonyl-2-nitrobenzoic acid), (C) Thionitrobenzoic acid, (D) 2-nitro-5-thiocyanobenzoic acid, (E) 2-nitro-5-sulfo-sulfonyl-benzoic acid and (F) NSC517871 (2-(2-carboxy-4-nitro-phenyl) disulfonyl-5-nitrobenzoic acid) into PDI enzyme. The green dot lines denote the hydrogen bonds. All the amino acid residues which involved in molecular interaction are shown in wire frame drawing and colored by atom types in which hydrogen is colored cyan, carbon gray, oxygen red, nitrogen blue, and sulfur yellow. Ligands are shown in stick drawing.

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BMC Bioinformatics

ISSN: 1471-2105

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