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Figure 9 | BMC Pharmacology and Toxicology

Figure 9

From: Rehabilitating drug-induced long-QT promoters: In-silico design of hERG-neutral cisapride analogues with retained pharmacological activity

Figure 9

Comparison of experimental and calculated (IFD docking scores) binding energies of compounds. Top panel: The A2A receptor and Bottom panel: The 5HT-4 receptor. (Ki values are converted to kcal/mole for comparison, T = 300 K, R = 8.314 J/molK; If a compound has different Ki values for same target, the average of these values is used).

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BMC Pharmacology and Toxicology

ISSN: 2050-6511

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