Structure Based Virtual Screening of Anticanerous Polyphenolic Phytocompounds against G-Protein Coupled Receptor and Identification of Potent Antagonist Ligand(S) Through Molecular Docking
News Sep 02, 2011
Design of potential drug-like candidates for cancer is of interest in recent years. We used 60 compounds which are known to have the potential to down regulate Nuclear Factor kappaB (NFκB) for this study. The compounds were assessed for Lipinski's RO5 and ADMET properties. Allixin, anethole, capsaicin, linearol and syringic acid satisfied both Lipinski's RO5 and ADMET properties. These compounds showed strong molecular interaction with receptor GPCR55 indicating they have ability to block GPCR55. Thus, their role in anticellular proliferation and induction of apoptosis is implied.
The article is published online in Bioinformation and is free to access.
With cybersecurity one of the nation's top security concerns and billions of people affected by breaches last year, government and businesses are spending more time and money defending against it. Researchers at the Army's corporate research laboratory, in collaboration with Towson University, may have identified a new way to improve network security.