Active Site Prediction and Targeting Bipolar  Disorder through Molecular Docking  Techniques on Protein Kinase Epsilon

S. Shanthipriya; Dr.Victor A.Doss

Volume : II, Issue : VI, June - 2013

Active Site Prediction and Targeting Bipolar Disorder through Molecular Docking Techniques on Protein Kinase Epsilon

S. Shanthipriya, Dr. Victor A. Doss

Abstract :

Bipolar disorder (BPD) is a complex genetic disorder in which the core feature is pathological disturbance in mood ranging from extreme elation, or mania, to severe depression usually accompanied by disturbances in thinking and behavior. Recently evidence indicates that an alteration in PKC activity plays a significant role in pathophysiology of BPD. Protein kinase C(PKC) is a group of calcium and phospholipid -dependent enzymes, enriched in ain, where it plays a major role in regulating both pre-and postsynaptic aspects of neurotransmission. Inhibition of PKC plays an important role in neuroprotection against BPD. The modeled protein structure (PM0078502) was retrieved from PMD database and subjected to various bioinfromatics tools. The active site was predicted and to molecular docking studies was performed with ChEMBL database PKC inhibitors. Totally 80 compounds have been screened and after toxicity prediction ten compounds have been selected as candidate drugs for Bipolar Disorder. The best inhibitor which shows good interaction with target was [(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro1H-pyrrol-3-yl]-1H-indol-1-yl}propyl)sulfanyl] methanimidamide.