Calculated potential energy of interaction (ΔE) and free energy of hydration (ΔG) for the interaction of fluevirines with the tubulin dimer
Compounds | ΔE (kcal/mol) | ΔG (kcal/mol) |
---|---|---|
Securinine | –44.60 | –17.10 |
Norsecurinine | –44.20 | –17.10 |
Fluevirine A | –73.90 | –20.90 |
Fluevirine B | –49.30 | –20.90 |
Fluevirine C | –52.20 | –14.90 |
Fluevirine D | –47.70 | –16.85 |
Fluevirine E | –56.85 | –24.50 |
Fluevirine F | –50.20 | –12.90 |