Literature summary for 1.1.1.21 extracted from

Cui, F.; Liu, L.; Tang, H.; Yang, K.; Li, Y.
Construction of explicit models to correlate the structure and the inhibitory activity of aldose reductase Flavonoids and sulfonyl-pyridazinones as inhibitors (2017), Chem. Biol. Drug Des., 89, 482-491 .

Crystallization (Commentary)

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

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

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

Organism	UniProt	Comment	Textmining
Homo sapiens	P15121	-	-

Synonyms

Synonyms	Comment	Organism
AKR1B1	-	Homo sapiens
aldo-keto reductase family 1 member B1	-	Homo sapiens

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Release 2023.1 (January 2023)