Netarsudil
Function
DrugBank ID:
Description:
A Rho kinase inhibitor with norepinephrine transport inhibitory activity that reduces production of aqueousAs of December 18, 2017 the FDA approved Aerie Pharmaceutical's Rhopressa (netarsudil ophthalmic solution) 0.02% for the indication of reducing elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. Acting as both a rho kinase inhibitor and a norepinephrine transport inhibitor, Netarsudil is a novel glaucoma medication in that it specifically targets the conventional trabecular pathway of aqueous humour outflow to act as an inhibitor to the rho kinase and norepinephrine transporters found there as opposed to affecting protaglandin F2-alpha analog like mechanisms in the unconventional uveoscleral pathway that many other glaucoma medications demonstrate. [DrugBank]
Targets:
Rho-associated protein kinase 1 (Humans); Rho-associated protein kinase 2 (Humans); Sodium-dependent noradrenaline transporter (Humans) [DrugBank]
Pharmacodynamics:
Aqueous humour flows out of the eye via two pathways [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Netarsudil: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Netarsudil in the SMILES input box.
Step 2 - Blind docking for Netarsudil: 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 Netarsudil to perform blind docking.