Table 1 The calculated binding free energy and reDock scores of NADPHs with IDH2/R140Q in the presence/absence of AGI-6780.
Systems | NADPH | Binding free energy (kcal/mol) | reDock Score |
|---|---|---|---|
IDH2/R140Q_AGI6780 | NADPHA | −509.75 | −12.99 |
NADPHB | −646.63 | −12.60 | |
IDH2/R140Q_αKG | NADPHA | −1418.89 | −20.60 |
NADPHB | −1382.28 | −19.10 |
