Terbinafine
Function
DrugBank ID:
Description:
Terbinafine hydrochloride (Lamisil) is a synthetic allylamine antifungal.It is highly lipophilic in nature and tends to accumulate in skin, nails, and fatty tissues.Like other allylamines, terbinafine inhibits ergosterol synthesis by inhibiting the fungal squalene monooxygenase (also called squalene epoxidase), an enzyme that is part of the fungal cell wall synthesis pathway.Terbinafine hydrochloride was granted FDA approval on 30 December 1992. [DrugBank]
Targets:
Squalene monooxygenase (Yeast); Squalene monooxygenase (Humans) [DrugBank]
Pharmacodynamics:
Terbinafine is an allylamine antifungal that inhibits squalene epoxidase (also known as squalene monooxygenase) to prevent the formation of ergosterol and cause an accumulation of squalene, weakening the cell wall of fungal cells.1,2,10 Terbinafine distributes into tissues and has a long terminal elimination half life, so the duration of action is long.1 Overdose with terbinafine is rare, even above the therapeutic dose, so the therapeutic index is wide.9,10 Patients taking oral terbinafine should have liver function tests performed prior to treatment to reduce the risk of liver injury.9 [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Terbinafine: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Terbinafine in the SMILES input box.
Step 2 - Blind docking for Terbinafine: 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 Terbinafine to perform blind docking.