A5028673005- Biosimilars and Bioanalytical Methods
- Neurotransmitter Receptor Influence on Behavior
- Neuroscience and Neuropharmacology Research
- Computational Drug Discovery Methods
- Protein Structure and Dynamics
- Memory and Neural Mechanisms
- Genetics, Bioinformatics, and Biomedical Research
- Pharmacogenetics and Drug Metabolism
- S100 Proteins and Annexins
- Cannabis and Cannabinoid Research
- Health Systems, Economic Evaluations, Quality of Life
- Photosynthetic Processes and Mechanisms
- Neuroendocrine regulation and behavior
- Thermodynamic properties of mixtures
- Healthcare and Venom Research
- Stroke Rehabilitation and Recovery
- Mass Spectrometry Techniques and Applications
- Ion channel regulation and function
- ATP Synthase and ATPases Research
- Neural dynamics and brain function
- Traditional Chinese Medicine Studies
- Innovative Microfluidic and Catalytic Techniques Innovation
- Electroconvulsive Therapy Studies
- Phase Equilibria and Thermodynamics
- Bipolar Disorder and Treatment
Heidelberg Institute for Theoretical Studies
2019-2024
Heidelberg University
2019-2024
Johns Hopkins University
2008-2017
Johns Hopkins Medicine
2017
Celltrion (South Korea)
2017
Accurate protein druggability predictions are important for the selection of drug targets in early stages discovery. Because flexible nature proteins, a binding pocket may vary due to conformational changes. We have therefore developed two statistical models, logistic regression model (TRAPP-LR) and convolutional neural network (TRAPP-CNN), predicting how it varies with changes spatial physicochemical properties pocket. These models integrated into TRAnsient Pockets Proteins (TRAPP), tool...
Abstract Cytochrome P450 2B4 (CYP 2B4) is one of the best‐characterized CYPs and serves as a key model system for understanding mechanisms microsomal class II CYPs, which metabolize most known drugs. The highly flexible nature CYP apparent from crystal structures that show active site with either wide open or closed heme binding cavity. Here, we investigated conformational ensemble full‐length in phospholipid bilayer, using multiresolution molecular dynamics (MD) simulations. Coarse‐grained...
Neuronal activity regulated pentraxin (Narp) is a secreted protein that regulates α-amino-3-hydroxyl-5-methyl-4-isoxazole-propionate receptors (AMPAR) aggregation and synaptogenesis. Mapping of Narp-positive neurons in brain has revealed it prominently expressed several limbic system projection pathways. Consistent with this localization pattern, Narp knockout mice show deficits using the current value reinforcer to guide behavior, critical function system. To help assess whether behavioral...
Narp knockout (KO) mice demonstrate an impaired extinction of morphine conditioned place preference (CPP). Because the medial prefrontal cortex (mPFC) has been implicated in learning, we tested whether cells this region play a role CPP. We found that intracranial injections adenoassociated virus (AAV) expressing wild-type (WT) into mPFC KO rescued and injection AAV dominant negative form (NarpN) WT These findings suggest mediates
Background: CT-P13, a biosimilar of infliximab, has been approved by the US FDA and European Medicines Agency. CT-P13 is offered at lower price than infliximab reference product (RP), therefore its use could reduce economic burden associated with biologic therapy increase access to treatment. This study analysed real-world pharmacoeconomic effects in 5 countries from 2015 end second quarter (Q2) 2016. Methods: Surveys were conducted IMS Health France, Germany, Spain, Italy UK evaluate market...
The medial prefrontal cortex (mPFC) plays a key role in extinction learning. Previously, we found that expression of neuronal activity-regulated pentraxin (Narp) dominant-negative construct the mPFC mice blocked morphine-conditioned place preference. To further investigate Narp drug seeking, tested whether is necessary for heroin self-administration rats. Specifically, injected an adeno-associated viral vector expressing form (NarpN) into infralimbic region rats and compared lever presses...
Abstract The central nucleus of the amygdala plays a key role in mediating aversive responses to drug withdrawal, effects thought contribute continued use. In previous studies, we found that immediate early gene Narp, which encodes secreted protein binds AMPA receptors, is induced this following opiate withdrawal. Furthermore, Narp deletion alters acquisition and extinction conditioning by We now report also withdrawal from other drugs abuse, nicotine Δ 9 ‐tetrahydrocannabinol, indicating...
The S100A1ct peptide, consisting of the C-terminal 20 residues S100A1 protein fused to an N-terminal 6-residue hydrophilic tag, has been found exert a positive inotropic effect, resulting in improved contractile performance failing cardiac and skeletal muscle without arrhythmic side-effects. peptide thus high potential for treatment acute heart failure. As step toward understanding its molecular mechanism action, provide basis peptidomimetic design optimize properties, we here describe de...
Cytochrome P450 2B4 (CYP 2B4) is one of the best characterized CYPs and serves as a key model system for understanding mechanisms microsomal class II CYPs, which metabolize most known drugs. The highly flexible nature CYP apparent from crystal structures that show active site with either wide open or closed heme binding cavity. Here, we investigated conformational ensemble full-length in phospholipid bilayer, using multiresolution molecular dynamics (MD) simulations. Coarse-grained MD...
Abstract Accurate protein druggability predictions are important for the selection of drug targets in early stages discovery. Due to flexible nature proteins, a binding pocket may vary due conformational changes. We have therefore developed two statistical models, logistic regression model (TRAPP-LR) and convolutional neural network (TRAPP-CNN), predicting how it varies with changes spatial physicochemical properties pocket. These models integrated into TRAPP (TRAnsient Pockets Proteins),...