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Using Deep Belief Network and Computational Methods to Improve Opioid Receptor Biological Activity Prediction, Novel Agonists and Antagonists, Structural Modeling

Ming Liu, Wenxiang Hu
2018 DEStech Transactions on Computer Science and Engineering  
This paper presented the new developments on the using deep belief network and computational methods to improve opioid receptor biological activity prediction, novel agonists and antagonists, structural  ...  modeling in recent years. 1  ...  With the resolved crystal structure of the β-funaltrexamine-MOR complex, research aimed at the discovery of novel agonists and antagonists using virtual screening tools, i.e. docking, pharmacophore-and  ... 
doi:10.12783/dtcse/icmsie2017/18792 fatcat:nt3eabjueza5pi3g2falnbgyrm

Design and Synthesis of Fluorescent Opioids for Bioimaging

This thesis details the work designing and synthesizing fluorescent opioids for the purposes of bioimaging. In addition to organic probes, nanoparticle-based probes have been explored.  ...  These compounds can be used as tools to study the behavior or opioid drugs and their effects in cells.  ...  The critical water 2 MOLECULAR MODELLING OF THE OPIOID Overlay of the antagonist bound (magenta), agonist bound (green) and 30 ns MD models (yellow).  ... 
doi:10.26180/5bc1333b68093 fatcat:hezsfsmsvnh3dkybepihxxoq2e

Studies of g protein-coupled receptor structure and function: Receptor modeling and synthesis of bivalent ligands

Fiona Michelle McRobb
Model. 2010, 50, 626-637). Techniques to optimize the orthosteric binding site, such as flexible receptor docking and loop refinement, were investigated.  ...  G protein-coupled receptors (GPCRs) are therapeutically significant proteins and are targeted by over 25% of FDA approved drugs.  ...  Homology modeling and molecular dynamics simulations of the mu opioid receptor in a membrane-aqueous system. ChemBioChem 2005, 6, 853-859. 89.  ... 
doi:10.4225/03/5898114f17e28 fatcat:j677ze3gtjh7jniywsqw7ujouy

List of Abstracts of the Seventeenth Annual Meeting of the European Chemoreception Research Organisation

2006 Chemical Senses  
It is concluded that naringin stimulates the inhibitory pathway of AC via melatonin and alpha-2-adrenergic receptors in taste tissue during both subsecond and 10-s stimulation paradigm.  ...  We recently discovered a second class of chemosensory receptors in the OE, called TAARs, that recognizes at least one pheromone and may also be involved in the detection of other social cues by the OE.  ...  Ligand docking simulations were performed to define the odorant-binding site of each receptor.  ... 
doi:10.1093/chemse/bjl029 fatcat:bhjdee37fjbqtgolwpshbpes5y