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

Bioinformation

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

Published: June 2020

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.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7452742PMC
http://dx.doi.org/10.6026/97320630016462DOI Listing

Publication Analysis

Top Keywords

amino-pyrimidine derivatives
12
molecular docking
8
docking c-jun-n-terminal
8
c-jun-n-terminal kinase
8
kinase jnk
8
jnk amino-pyrimidine
4
derivatives interest
4
interest document
4
document molecular
4
jnk structure
4

Similar Publications

Phenyl amino pyrimidine attracts researchers due to its versatile scaffold and medicinal significance. This significant moiety present in the Imatinib contributed to medicinal chemistry. In this manuscript, we reviewed various derivatives of Imatinib containing 2-phenylaminopyrimidine, which has a variety of roles, especially in the anti-cancer category.

View Article and Find Full Text PDF

The JAK-STAT signalling pathway is primarily involved in cytokine signalling and induces various factors namely, erythropoietin, thrombopoietin, interferons, interleukins, and granulocyte colony-stimulating factors. These factors tremendously influenced understanding human health and illness, specifically cancer. Inhibiting the JAK/STAT pathway offers enormous therapeutic promises against cancer.

View Article and Find Full Text PDF

In the upcoming decades, the incidence and mortality rates of cancer are expected to rise globally, with colorectal and prostate cancers among the most prevalent types. Despite advancements in molecular targeted therapy, platinum-based chemotherapies remain the cornerstone of treatment, especially for colorectal and prostate cancer, with oxaliplatin and cisplatin being extremely effective due to their DNA-targeting capabilities. In our pursuit of new platinum-based chemotherapeutics that are potentially less toxic and more effective, we have explored the combination of the Pt-binding groups of the diaminocyclohexane ring used in oxaliplatin, with the stable amino-pyrimidine hemicurcumin moiety.

View Article and Find Full Text PDF

Spleen tyrosine kinase (Syk) is a key signal transduction mediator of the B cell receptor (BCR) signaling pathway. Abnormal BCR signaling plays a key role in initiation and development of B-cell-derived hematological malignancies, therefore, Syk represents a potential target for inhibiting the BCR signaling resulting in a therapeutic effect in these cancers. Herein, we describe a novel series of SYK inhibitors with 4-(3'-pyrazolyl)-2-amino-pyrimidine scaffold.

View Article and Find Full Text PDF

With the clear need for better cancer treatment, naturally occurring molecules represent a powerful inspiration. Recently, curcumin has attracted attention for its pleiotropic anticancer activity in vitro, especially against colorectal and prostate cancer cells. Unfortunately, these encouraging results were disappointing in vivo due to curcumin's low stability and poor bioavailability.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!