Inhibitor design against JNK1 through e-pharmacophore modeling docking and molecular dynamics simulations.

Katari, Sudheer Kumar

Inhibitor design against JNK1 through e-pharmacophore modeling docking and molecular dynamics simulations. [electronic resource] - Journal of receptor and signal transduction research Dec 2016 - 558-571 p. digital

Publication Type: Journal Article

1532-4281

10.3109/10799893.2016.1141955 doi


Crystallography, X-Ray
Enzyme Inhibitors--chemistry
Humans
Ligands
MAP Kinase Signaling System
Mitogen-Activated Protein Kinase 8--antagonists & inhibitors
Mitogen-Activated Protein Kinase 9--antagonists & inhibitors
Molecular Docking Simulation
Molecular Dynamics Simulation
Neoplasms--drug therapy
Phosphorylation
Protein Binding
Protein Conformation
Signal Transduction--drug effects
Small Molecule Libraries--chemistry