A5102839136- Lipid Membrane Structure and Behavior
- Photosynthetic Processes and Mechanisms
- Antioxidant Activity and Oxidative Stress
- Lipid metabolism and biosynthesis
- Protein Structure and Dynamics
- Organometallic Complex Synthesis and Catalysis
- Spectroscopy and Quantum Chemical Studies
- Traffic Prediction and Management Techniques
- Asymmetric Hydrogenation and Catalysis
- Photoreceptor and optogenetics research
- Analytical Chemistry and Chromatography
- Traffic control and management
- Vehicle emissions and performance
- Carbon dioxide utilization in catalysis
- Protein Interaction Studies and Fluorescence Analysis
- Enzyme Structure and Function
- Transportation Planning and Optimization
- Proteins in Food Systems
- finance, banking, and market dynamics
- Cell death mechanisms and regulation
- Circadian rhythm and melatonin
- Light effects on plants
- Molecular Sensors and Ion Detection
- Nutrition and Health Studies
- Supramolecular Self-Assembly in Materials
Jagiellonian University
2012-2024
Institute of Computer Science
2012-2016
Universidad de Oviedo
2002
Daresbury Laboratory
2002
Queen's University
1986
A high percentage of people treated with a long-term nonsteroidal anti-inflammatory drug (NSAID) therapy suffer NSAID-induced gastrointestinal-tract-related side effects. current hypothesis states that the effects are related to topical action NSAID molecules on gastric mucus lowers its resistance luminal acid. The main lipids in human palmitoyloleoylphosphatidylcholine (POPC) and cholesterol (Chol). In this study, both X-ray diffraction molecular dynamics (MD) simulation methods were...
Staphylococcus aureus is a dangerous human pathogen. A number of the proteins secreted by this bacterium are implicated in its virulence, but many components secretome poorly characterized. Strains S. can produce up to six homologous extracellular serine proteases grouped single spl operon. Although SplA, SplB, and SplC have been thoroughly characterized, properties other three enzymes not yet investigated. Here, we describe biochemical structural characteristics SplD protease. The active...
Vemurafenib and dabrafenib are BRAF kinase inhibitors (BRAFi) used for the treatment of patients with melanoma carrying V600E mutation. However, cells develop resistance to both drugs when as monotherapy. Therefore, mechanisms drug investigated, new molecular targets sought that could completely inhibit progression. Since receptor-interacting protein (RIPK4) probably functions an oncogene in its structure is similar protein, we analyzed impact vemurafenib on RIPK4 melanomas. The silico study...
Lutein, a hydroxylated carotenoid, is pigment synthesised by plants and bacteria. Animals are unable to synthesise lutein, nevertheless, it present in animal tissues, where its only source dietary intake. Both animals, carotenoids associated mainly with membranes they carry out important physiological functions. Their trafficking insertion into not well recognised due experimental difficulties. In this paper, computational approach used elucidate details of the dynamics energetics lutein...
Lutein is present in the human retina and lens, where it plays a protective role. As lutein associated with lipid matrix of biomembranes, role depends on its membrane location. Experimental studies predicted two orientations phosphatidylcholine (PC) bilayer: vertical horizontal. Using molecular dynamics simulation, we observed, different PC bilayers, both lutein, each bilayer, single change from to horizontal orientation or vice versa. Both were stabilized by hydrogen bonding OH groups...
Molecular dynamics simulations of 1,2-di-O-acyl-3-O-β-D-galactopyranosyl-sn-glycerol (MGDG) and 1,2-dioleoyl-sn-glycero-3-phosphatidylcholine (DOPC) bilayers were carried out to compare the effect lipid head group's chemical structure on orientational order water molecules hydrating bilayer. The diffusion is strong for neighbouring i.e., those located not further than 4 Å from any bilayer atom. This because are predominantly hydrogen bonded oxygen atoms their mobility limited a confined...
Lutein and zeaxanthin are two similar carotenoids of the xanthophyll subgroup. Carotenoids synthesized almost entirely by plants but also present in significant amounts animals. They essential components lipid matrix biomembranes, one their functions is to protect cells from light radiation, free radicals oxidative stress. Carotenoids, depending on chemical structure, can locate at various positions different orientations bilayer. Xanthophylls (XAN) polar bilayer positionally restricted. In...
In the introductory part of this review, relevant results mostly latest experimental studies on carotenoid absorption and availability in human body are briefly presented. The subsequent parts summarise such topics as carriers, transport tissue delivery, before finally reporting molecular-level binding by membrane receptors. main message review is contained section describing computational investigations intercalation dynamic behaviour lipid bilayers. relevance these lies showing direct link...
Photoreceptor membranes have a unique lipid composition. They contain high level of polyunsaturated fatty acids including the most unsaturated acid in nature, docosahexaenoic (22:6), and are enriched phosphatidylethanolamines. The phospholipid composition cholesterol content subcellular components photoreceptor outer segments enables to divide into three types: plasma membranes, young disc old membranes. A degree unsaturation, extended exposure intensive irradiation, respiratory demands make...
Interactions among lipid head groups at the bilayer/water interface do, to a large extent, determine membrane properties. In this study graph theory is employed objectively describe and compare pattern of interactions interfaces computer models 128- 512-lipid monogalactolipid (MGDG) phosphatidylcholine (DOPC) bilayers. Both MGDG DOPC have polar but different chemical structures so bilayer they participate in types interaction. Nevertheless, both these molecules link make networks. theory,...
In this study, carried out using computational methods, the organisation of lipid/water interface bilayers composed galactolipids with both α-linolenoyl acyl chains is analysed and compared in three different lyotropic liquid-crystalline phases. These systems include monogalactosyldiglyceride (MGDG) digalactosyldiglyceride (DGDG) lamellar phase, MGDG double bilayer during stalk phase formation inverse hexagonal phase. For each system, lipid-water direct water-mediated lipid-lipid...
Tauroursodeoxycholic acid (TUDCA), a hydrophilic bile containing taurine conjugated with the ursodeoxycholic (UDCA), has been known and used from ancient times as therapeutic compound in traditional Chinese medicine. TUDCA recently gaining significant interest neuroprotective agent, also exploited visual disorders. Among several mechanisms of TUDCA’s protective action, its antioxidant activity stabilizing effect on mitochondrial plasma membranes are considered. In this work we investigated...
The lipid matrix of thylakoid membranes is a lamellar bilayer, but under certain condition it can convert locally into nonlamellar structure. This possible because one the main membrane lipids, MGDG, promotes formation an inverse hexagonal phase. Here, spontaneous transformation aligned hydrated MGDG bilayers structures investigated using all-atom molecular dynamics simulation. Previous studies have demonstrated that polar head groups connect vertically across interface. In this study,...