DrugDevCovid19

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

Perampanel

ID MW HBD HBA
9924495  349.403
RB NOA Rings logP
3443.44

Function

DrugBank ID:

DB08883


Description:

Perampanel is a noncompetitive AMPA glutamate receptor antagonist. It is marketed under the name Fycompa™ and is indicated as an adjunct in patients over 12 years old for the treatment of partial-onset seizures that may or may not occur with generalized seizures. The FDA label includes an important black-boxed warning of serious or life-threatening behavioral and psychiatric reactions in patients taking Fycompa™. [DrugBank]

Targets:

Glutamate receptor 1 (Humans) [DrugBank]

Pharmacodynamics:

Perampanel is involved in inhibiting neuronal excitation in the central nervous system leading to such effects as decreased pyschomotor performance. [DrugBank]

Structures

SMILES:

N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O

2D structures:  

3D structures:  

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: Perampanel

Vina score: -9.1

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

Step 1 - Target prediction for Perampanel: SwissTargetPrediction

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

Step 2 - Blind docking for Perampanel: 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 Perampanel to perform blind docking.