Molecular docking of C-Jun-N-Terminal Kinase (Jnk) with amino-pyrimidine derivatives

Krishnamoorthy Meenakumari; Giridharan Bupesh

doi:10.6026/97320630016462

Molecular docking of C-Jun-N-Terminal Kinase (Jnk) with amino-pyrimidine derivatives

Bioinformation. 2020 Jun 30;16(6):462-467. doi: 10.6026/97320630016462. eCollection 2020.

Authors

Krishnamoorthy Meenakumari¹, Giridharan Bupesh¹

Affiliation

¹ Research and Development Wing, Central Research Laboratory, Sree Balaji Medical College and Hospital (SBMCH), BIHER, Chrompet, Chennai - 600044, India.

Abstract

It is of interest to document the molecular docking of C-Jun-N-Terminal Kinase (Jnk) (known structure with PDB ID: 1PMN) with amino-pyrimidine derivatives in the context of Alzheimer's Disease (AD). We report the optimal binding features (binding energy, interacting residues, inter atomic hydrogen bonding patterns) of 11 amino-pyrimidine derivatives with Jnk for further consideration.

Keywords: JNK3; amino-pyrimidine; inhibitors.