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Figure 2 | BMC Bioinformatics

Figure 2

From: iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis

Figure 2

Interaction profiles and pharmacological interactions. (A) Protein-compound interaction profiles of ERA. The conserved interacting residues (B) E353 and R394 as well as (C) L525 and H524 form hydrogen bonds with the screening compounds. On average, 70% (>700) and 40% (>400) screening compounds have vdW contacts with (D) the upper hydrophobic pocket residues (L387, L391 and F404) and (E) the bottom hydrophobic pocket residues (L346, L384, and H524), respectively. (F) 10 active compounds highly agree to form hydrogen bonds with residues R394, E353, L525, and H524. (G) The interactions and (H) visualizations of pharmacological interactions in the post-screening analysis interface.

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BMC Bioinformatics

ISSN: 1471-2105

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