Quercetin
Function
DrugBank ID:
Description:
Quercetin is a flavonol widely distributed in plants. It is an antioxidant, like many other phenolic heterocyclic compounds. Glycosylated forms include RUTIN and quercetrin. [DrugBank]
Targets:
Tyrosine-protein kinase HCK (Humans); Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Humans); UDP-glucuronosyltransferase 3A1 (Humans); ATP synthase subunit alpha, mitochondrial (Humans); ATP synthase subunit beta, mitochondrial (Humans); ATP synthase subunit gamma, mitochondrial (Humans); Serine/threonine-protein kinase pim-1 (Humans); HTH-type transcriptional regulator TtgR (Pseudomonas putida (strain DOT-T1E)); 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial (Humans); 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori); Serine/threonine-protein kinase 17B (Humans); Estrogen receptor alpha (Humans); Estrogen receptor beta (Humans); Ribosyldihydronicotinamide dehydrogenase [quinone] (Humans); Aryl hydrocarbon receptor (Humans); Cytochrome P450 1B1 (Humans); Actin, cytoplasmic 1 (Humans); Casein kinase II subunit alpha (Humans); Casein kinase II subunit beta (Humans); Eukaryotic translation initiation factor 3 subunit F (Humans); Heat shock protein HSP 90-alpha (Humans); Heat shock-related 70 kDa protein 2 (Humans); RuvB-like 2 (Humans); Splicing factor 3B subunit 3 (Humans); Ubiquitin-like modifier-activating enzyme 1 (Humans); Sex hormone-binding globulin (Humans); Carbonyl reductase [NADPH] 1 (Humans); CCAAT/enhancer-binding protein beta (Humans); Nuclear receptor subfamily 1 group I member 2 (Humans) [DrugBank]
Pharmacodynamics:
Not Available [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Quercetin: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Quercetin in the SMILES input box.
Step 2 - Blind docking for Quercetin: CB-Dock
Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Quercetin to perform blind docking.