DrugDevCovid19

Tracking the relevant researches of CADD drug development against COVID-19

(-)-taxifolin

ID	MW	HBD	HBA
712316	304.3	5	6

RB	NOA	Rings	logP
6	7	3	0.95

Function

Not available

Structures

SMILES:

O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O

2D structures:

3D structures:

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: (-)-taxifolin

Vina score: -7.6

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for (-)-taxifolin: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of (-)-taxifolin in the SMILES input box.

Step 2 - Blind docking for (-)-taxifolin: 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 (-)-taxifolin to perform blind docking.