Crystallization (Comment) | Organism |
---|---|
molecular docking of inhibitor families. Flavonoids tend to bind aldose reductase in E and EC states, while sulfonyl-pyridazinones prefer ES and ECS states. Van der Waals and electrostatic interactions always have positive contributions for stabilizing flavonoids and sulfonyl-pyridazinones. The conserved feature for the aldose reductase binding pocket and the aldose reductase inhibitors is the aromatic stacking and hydrogen bonding | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
additional information | contruction of two explicit models to correlate the binding energies with the inhibitory activities. Flavonoids tend to bind aldose reductase in E and EC states, while sulfonyl-pyridazinones prefer ES and ECS states. Van der Waals and electrostatic interactions always have positive contributions for stabilizing flavonoids and sulfonyl-pyridazinones. The conserved feature for the aldose reductase binding pocket and the aldose reductase inhibitors is the aromatic stacking and hydrogen bonding | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P15121 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
AKR1B1 | - |
Homo sapiens |
aldo-keto reductase family 1 member B1 | - |
Homo sapiens |