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.
Have you ever been stressed out by the idea of doing math or statistics problems? You’re not alone. A new study has used a questionnaire and an analytical technique called "network science" to determine precisely what factors contribute to this kind of statistics anxiety among psychology majors.
Anxiety and depression are surprisingly common among young children. But it can be hard to detect these conditions, known as “internalizing disorders,” because the symptoms are so inward-facing that parents, teachers and doctors often fail to notice them. Now, researchers have developed a tool that could help screen children for internalizing disorders to catch them early enough to be treated.
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