A5060549172- Ion Channels and Receptors
- Lipid Membrane Structure and Behavior
- Additive Manufacturing Materials and Processes
- Muscle metabolism and nutrition
- Neuroscience and Neuropharmacology Research
- High Entropy Alloys Studies
- Neurotransmitter Receptor Influence on Behavior
- Ion channel regulation and function
- Neurobiology and Insect Physiology Research
- Cardiac electrophysiology and arrhythmias
- Genetics and Neurodevelopmental Disorders
- Metabolism and Genetic Disorders
- Genetic Neurodegenerative Diseases
- RNA Interference and Gene Delivery
- Advanced materials and composites
- Protein Structure and Dynamics
- Advanced Chemical Sensor Technologies
- Welding Techniques and Residual Stresses
- Receptor Mechanisms and Signaling
- Pesticide Residue Analysis and Safety
- Drug Transport and Resistance Mechanisms
- Pharmacological Effects and Assays
- Biochemical and Molecular Research
- Nanofabrication and Lithography Techniques
- DNA and Nucleic Acid Chemistry
Medical University of Vienna
2022-2025
Colorado School of Mines
2020-2024
Medical University of Graz
2023
Los Alamos National Laboratory
2016
Nine out of 19 genes encoding GABA
Abstract The transient receptor potential canonical type 3 (TRPC3) channel plays a pivotal role in regulating neuronal excitability the brain via its constitutive activity. is intricately regulated by lipids and has previously been demonstrated to be positively modulated PIP 2 . Using molecular dynamics simulations patch clamp techniques, we reveal that predominantly interacts with TRPC3 at L3 lipid binding site, located intersection of pre-S1 S1 helices. We demonstrate sensing involves...
Coordination of lipids within transient receptor potential canonical channels (TRPCs) is essential for their Ca2+ signaling function. Single particle cryo-EM studies identified two lipid interaction sites, designated L1 and L2, which are proposed to accommodate diacylglycerols (DAGs). To explore the role L2 in TRPC3 function, we combined structure-guided mutagenesis electrophysiological recording with molecular dynamics (MD) simulations. MD simulations indicate rapid DAG accumulation both...
The serotonin transporter (SERT) is a member of the Solute Carrier 6 (SLC6) family and responsible for maintaining appropriate level in brain. Dysfunction SERT has been linked to several neuropsychiatric disorders, including depression, anxiety obsessive-compulsive disorder. Therefore, an in-depth understanding mechanism on atomistic level, coupled with quantification dynamics associated free energies required. Here, we constructed Markov state models (MSMs) from extensive unbiased molecular...
<title>Abstract</title> SbmA is a membrane transporter from <italic>Escherichia coli</italic> that imports antimicrobial peptides. Although the protein secondary energized by proton gradient, it structurally related to transmembrane domain (TMD) of ATP-binding cassette (ABC) transporters. therefore bridges structural divide between primary and However, remained unclear, if also shares mechanism alternating access with ABC transporters, because only single (outward-open) state has been...
In chordates, energy buffering is achieved in part through phosphocreatine, which requires cellular uptake of creatine by the membrane-embedded transporter (CRT1/SLC6A8). Mutations human slc6a8 lead to deficiency syndrome, for there only limited treatment. Here, we used a combined homology modeling, molecular dynamics, and experimental approach generate structural model CRT1. Our observations support following conclusions: contrary previous proposals, C144, key residue substrate binding...
Transient receptor potential canonical 3 (TRPC3) channel belongs to the superfamily of transient (TRP) channels which mediate Ca
The creatine transporter-1 (CRT-1/SLC6A8) maintains the uphill transport of into cells against a steep concentration gradient. Cellular accumulation is required to support ATP-buffering by phosphocreatine. More than 60 compounds have been explored in past for their ability inhibit cellular uptake, but number active very limited. Here, we show that all currently known inhibitors are full alternative substrates. We analyzed structure-activity relation inhibition CRT-1 guide rational approach...
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The creatine transporter-1 (CRT-1/SLC6A8) maintains the uphill transport of into cells against a steep concentration gradient. Cellular accumulation is required to support ATP-buffering by phosphocreatine. More than 60 compounds have been explored in past for their ability inhibit cellular uptake, but number active very limited. Here, we show that all currently known inhibitors are full alternative substrates. We analyzed structure-activity relationship inhibition CRT-1 guide rational...
Complex geometries and topology optimisations for weight materials savings are leading drivers the additive manufacturing of Ni-based superalloys through electron beam powder bed fusion (PBF-EB). However, there is a marked departure in these geometrically complex components with respect to thermal signatures understood commonly studied prismatic PBF-EB test coupons. This often results unaccounted site-specific microstructure-property variations builds. Here, effects topological changes, such...
<title>Abstract</title> The transient receptor potential canonical type 3 (TRPC3) channel plays a pivotal role in regulating neuronal excitability the brain via its constitutive activity. is intricately regulated by lipids and has previously been demonstrated to be positively modulated PIP<sub>2</sub>. Using molecular dynamics simulations patch clamp techniques, we reveal that PIP<sub>2</sub> predominantly interacts with TRPC3 at L3 lipid binding site, located intersection of pre-S1 S1...