Siponimod
Function
DrugBank ID:
Description:
Siponimod, also known asMayzent, by Novartis, is a new drug formulated for the management of Multiple Sclerosis (MS). It was approved by the FDA on March 26, 2019and by Health Canada on February 20, 2020.This drug is considered asphingosine-1-phosphate (S1P) receptor modulatorand is thought to play a role in suppressing the central nervous system inflammation that is associated with MS.Multiple Sclerosis (MS) is an autoimmune disease of the central nervous system that is chronic and inflammatory, disrupting communication between the brain and other parts of the body. Most patients diagnosed with this illness experience their initial disease symptoms between the age of 20 to 40, often the most productive years of life. Symptoms may include but are not limited to fatigue, gait changes, bowel or bladder dysfunction, abnormal muscle twitching, vision disturbance, and depressing or mood swings.MS is one of the most common causes of neurological disability in young adults and is found to occur more frequently in women than in men. [DrugBank]
Targets:
Sphingosine 1-phosphate receptor 5 (Humans); Sphingosine 1-phosphate receptor 1 (Humans) [DrugBank]
Pharmacodynamics:
Immune system effects [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Siponimod: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Siponimod in the SMILES input box.
Step 2 - Blind docking for Siponimod: 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 Siponimod to perform blind docking.