Pyrazinamide
Function
DrugBank ID:
Description:
A pyrazine that is used therapeutically as an antitubercular agent. [DrugBank]
Targets:
Fatty acid synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) [DrugBank]
Pharmacodynamics:
Pyrazinamide kills or stops the growth of certain bacteria that cause tuberculosis (TB). It is used with other drugs to treat tuberculosis. It is a highly specific agent and is active only against Mycobacterium tuberculosis. In vitro and in vivo, the drug is active only at a slightly acid pH. Pyrazinamie gets activated to Pyrazinoic acid in the bacilli where it interferes with fatty acid synthase FAS I. This interferes with the bacteriums ability to synthesize new fatty acids, required for growth and replication. [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Pyrazinamide: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Pyrazinamide in the SMILES input box.
Step 2 - Blind docking for Pyrazinamide: 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 Pyrazinamide to perform blind docking.