Berberine
Function
DrugBank ID:
Description:
An alkaloid from Hydrastis canadensis L. Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. [DrugBank]
Targets:
HTH-type transcriptional regulator QacR (Staphylococcus haemolyticus); Baculoviral IAP repeat-containing protein 5 (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 Berberine: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Berberine in the SMILES input box.
Step 2 - Blind docking for Berberine: 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 Berberine to perform blind docking.