Communication · Volume 9, Issue 4 · pp. 220–222

In silico Docking Studies and Potential Lead Identification against JNK3 for Alzheimer’s Disease

Nishtha Singh¹, Sonal Upadhyay¹, Ankur Jaiswar¹, Nidhi Mishra¹

¹Department of Applied Science, Indian Institute of Information Technology, Allahabad, Deoghat, Jhalwa, Uttar Pradesh, INDIA.

Abstract

Background: Alzheimer’s Disease (AD) is a neuron related brain disorder leading to reasoning and memory loss. There is no specific cure identified for AD. JNK3 (c-Jun N-terminal kinase /stress-activated protein kinase) are highly revealed within the central nervous system, particularly neurons, playing vital role in functioning of brain. JNK3 hyper phosphorylation is a very common conclusion in neurodegenerative diseases. JNK3 in turn hy- per phosphorylates Amyloid Precursor Protein (APP) which leads to the for- mation of Amyloid β peptides (an inductive agent of Alzheimer’s disease).Methods: Protein JNK-3 (PDB ID: 3KVX) was retrieved from protein data bank and later we docked a library of compounds against it. These were further validated by ADMET studies.Results: Thus, docking inhibitors of JNK3 may provide a promising sanitive approach. Based on best docking score and glide score a potential lead is identified against JNK3.Conclusion: Inhibiting JNK-3 may lead to less production of amyloidβ peptides, thus reducing the risk of Alzheimer’s disease.

Keywords: JNK3; Alzheimer’s disease; Amyloid β peptides

The full text of this article is available as a PDF. Open the PDF.