LIVIVO - The Search Portal for Life Sciences

zur deutschen Oberfläche wechseln
Advanced search

Search results

Result 1 - 10 of total 89

Search options

  1. Article: Permeation of a Homologous Series of NBD-Labeled Fatty Amines through Lipid Bilayers: A Molecular Dynamics Study.

    Filipe, Hugo A L / Loura, Luís M S / Moreno, Maria João

    Membranes

    2023  Volume 13, Issue 6

    Abstract: Permeation through biomembranes is ubiquitous for drugs to reach their active sites. Asymmetry of the cell plasma membrane (PM) has been described as having an important role in this process. Here we describe the interaction of a homologous series of 7- ... ...

    Abstract Permeation through biomembranes is ubiquitous for drugs to reach their active sites. Asymmetry of the cell plasma membrane (PM) has been described as having an important role in this process. Here we describe the interaction of a homologous series of 7-nitrobenz-2-oxa-1,3-diazol-4-yl (NBD)-labeled amphiphiles (NBD-Cn,
    Language English
    Publishing date 2023-05-25
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2614641-1
    ISSN 2077-0375
    ISSN 2077-0375
    DOI 10.3390/membranes13060551
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  2. Article ; Online: Fluorescent Probes

    Oliveira, Alexandre C / Filipe, Hugo A L / Loura, Luís M S

    Molecules (Basel, Switzerland)

    2023  Volume 28, Issue 5

    Abstract: Fluorescence probes are indispensable tools in biochemical and biophysical membrane studies. Most of them possess extrinsic fluorophores, which often constitute a source of uncertainty and potential perturbation to the host system. In this regard, the ... ...

    Abstract Fluorescence probes are indispensable tools in biochemical and biophysical membrane studies. Most of them possess extrinsic fluorophores, which often constitute a source of uncertainty and potential perturbation to the host system. In this regard, the few available intrinsically fluorescent membrane probes acquire increased importance. Among them,
    MeSH term(s) Lipid Bilayers/chemistry ; Fluorescent Dyes/chemistry ; Molecular Dynamics Simulation ; Phosphatidylcholines/chemistry
    Chemical Substances Lipid Bilayers ; Fluorescent Dyes ; Phosphatidylcholines
    Language English
    Publishing date 2023-02-28
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules28052241
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  3. Article ; Online: Molecular Dynamics Simulations: Advances and Applications.

    Filipe, Hugo A L / Loura, Luís M S

    Molecules (Basel, Switzerland)

    2022  Volume 27, Issue 7

    Abstract: Molecular dynamics (MD) simulations have led to great advances in many scientific disciplines, such as chemical physics, materials science, and biophysics [ ... ]. ...

    Abstract Molecular dynamics (MD) simulations have led to great advances in many scientific disciplines, such as chemical physics, materials science, and biophysics [...].
    MeSH term(s) Biophysics ; Molecular Dynamics Simulation
    Language English
    Publishing date 2022-03-24
    Publishing country Switzerland
    Document type Editorial
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules27072105
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  4. Article ; Online: Molecular Dynamics Simulations

    Hugo A. L. Filipe / Luís M. S. Loura

    Molecules, Vol 27, Iss 2105, p

    Advances and Applications

    2022  Volume 2105

    Abstract: Molecular dynamics (MD) simulations have led to great advances in many scientific disciplines, such as chemical physics, materials science, and biophysics [.] ...

    Abstract Molecular dynamics (MD) simulations have led to great advances in many scientific disciplines, such as chemical physics, materials science, and biophysics [.]
    Keywords n/a ; Organic chemistry ; QD241-441
    Language English
    Publishing date 2022-03-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  5. Article ; Online: Fluorescent Probes cis - and trans -Parinaric Acids in Fluid and Gel Lipid Bilayers

    Alexandre C. Oliveira / Hugo A. L. Filipe / Luís M. S. Loura

    Molecules, Vol 28, Iss 2241, p

    A Molecular Dynamics Study

    2023  Volume 2241

    Abstract: Fluorescence probes are indispensable tools in biochemical and biophysical membrane studies. Most of them possess extrinsic fluorophores, which often constitute a source of uncertainty and potential perturbation to the host system. In this regard, the ... ...

    Abstract Fluorescence probes are indispensable tools in biochemical and biophysical membrane studies. Most of them possess extrinsic fluorophores, which often constitute a source of uncertainty and potential perturbation to the host system. In this regard, the few available intrinsically fluorescent membrane probes acquire increased importance. Among them, cis - and trans -parinaric acids ( c -PnA and t -PnA, respectively) stand out as probes of membrane order and dynamics. These two compounds are long-chained fatty acids, differing solely in the configurations of two double bonds of their conjugated tetraene fluorophore. In this work, we employed all-atom and coarse-grained molecular dynamics simulations to study the behavior of c -PnA and t -PnA in lipid bilayers of 1-palmitoyl-2-oleoyl- sn -glycero-3-phosphocholine (POPC) and 1,2-dipalmitoyl- sn -glycero-3-phosphocholine (DPPC), representative of the liquid disordered and solid ordered lipid phases, respectively. All-atom simulations indicate that the two probes show similar location and orientation in the simulated systems, with the carboxylate facing the water/lipid interface and the tail spanning the membrane leaflet. The two probes establish interactions with the solvent and lipids to a similar degree in POPC. However, the almost linear t -PnA molecules have tighter lipid packing around them, especially in DPPC, where they also interact more with positively charged lipid choline groups. Probably for these reasons, while both probes show similar partition (assessed from computed free energy profiles across bilayers) to POPC, t -PnA clearly partitions more extensively than c -PnA to the gel phase. t -PnA also displays more hindered fluorophore rotation, especially in DPPC. Our results agree very well with experimental fluorescence data from the literature and allow deeper understanding of the behavior of these two reporters of membrane organization.
    Keywords fluorescence spectroscopy ; lipid membranes ; membrane probe ; molecular dynamics simulations ; Organic chemistry ; QD241-441
    Subject code 612
    Language English
    Publishing date 2023-02-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  6. Article ; Online: Interaction of Hoechst 33342 with POPC Membranes at Different pH Values.

    Cordeiro, Margarida M / Filipe, Hugo A L / Santos, Patrícia Dos / Samelo, Jaime / Ramalho, João P Prates / Loura, Luís M S / Moreno, Maria J

    Molecules (Basel, Switzerland)

    2023  Volume 28, Issue 15

    Abstract: Hoechst 33342 (H33342) is a fluorescent probe that is commonly used to stain the DNA of living cells. To do so, it needs to interact with and permeate through cell membranes, despite its high overall charge at physiological pH values. In this work, we ... ...

    Abstract Hoechst 33342 (H33342) is a fluorescent probe that is commonly used to stain the DNA of living cells. To do so, it needs to interact with and permeate through cell membranes, despite its high overall charge at physiological pH values. In this work, we address the effect of pH in the association of H33342 with lipid bilayers using a combined experimental and computational approach. The partition of H33342 to 1-palmitoyl-2-oleoyl-
    MeSH term(s) Lipid Bilayers/chemistry ; Phosphatidylcholines/chemistry ; Molecular Dynamics Simulation ; Thermodynamics ; Hydrogen-Ion Concentration
    Chemical Substances Lipid Bilayers ; bisbenzimide ethoxide trihydrochloride (P976261J69) ; Phosphatidylcholines
    Language English
    Publishing date 2023-07-25
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules28155640
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  7. Article ; Online: Analysis of the Equilibrium Distribution of Ligands in Heterogeneous Media-Approaches and Pitfalls.

    Moreno, Maria João / Loura, Luís M S / Martins, Jorge / Salvador, Armindo / Velazquez-Campoy, Adrian

    International journal of molecular sciences

    2022  Volume 23, Issue 17

    Abstract: The equilibrium distribution of small molecules (ligands) between binding agents in heterogeneous media is an important property that determines their activity. Heterogeneous systems containing proteins and lipid membranes are particularly relevant due ... ...

    Abstract The equilibrium distribution of small molecules (ligands) between binding agents in heterogeneous media is an important property that determines their activity. Heterogeneous systems containing proteins and lipid membranes are particularly relevant due to their prevalence in biological systems, and their importance to ligand distribution, which, in turn, is crucial to ligand's availability and biological activity. In this work, we review several approaches and formalisms for the analysis of the equilibrium distribution of ligands in the presence of proteins, lipid membranes, or both. Special attention is given to common pitfalls in the analysis, with the establishment of the validity limits for the distinct approaches. Due to its widespread use, special attention is given to the characterization of ligand binding through the analysis of Stern-Volmer plots of protein fluorescence quenching. Systems of increasing complexity are considered, from proteins with single to multiple binding sites, from ligands interacting with proteins only to biomembranes containing lipid bilayers and membrane proteins. A new formalism is proposed, in which ligand binding is treated as a partition process, while considering the saturation of protein binding sites. This formalism is particularly useful for the characterization of interaction with membrane proteins.
    MeSH term(s) Binding Sites ; Ligands ; Lipid Bilayers/chemistry ; Membrane Proteins ; Protein Binding
    Chemical Substances Ligands ; Lipid Bilayers ; Membrane Proteins
    Language English
    Publishing date 2022-08-28
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2019364-6
    ISSN 1422-0067 ; 1422-0067 ; 1661-6596
    ISSN (online) 1422-0067
    ISSN 1422-0067 ; 1661-6596
    DOI 10.3390/ijms23179757
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  8. Article ; Online: Exploring protein-protein interactions and oligomerization state of pulmonary surfactant protein C (SP-C) through FRET and fluorescence self-quenching.

    Morán-Lalangui, Mishelle / Coutinho, Ana / Prieto, Manuel / Fedorov, Alexander / Pérez-Gil, Jesús / Loura, Luís M S / García-Álvarez, Begoña

    Protein science : a publication of the Protein Society

    2023  Volume 33, Issue 1, Page(s) e4835

    Abstract: Pulmonary surfactant (PS) is a lipid-protein complex that forms films reducing surface tension at the alveolar air-liquid interface. Surfactant protein C (SP-C) plays a key role in rearranging the lipids at the PS surface layers during breathing. The N- ... ...

    Abstract Pulmonary surfactant (PS) is a lipid-protein complex that forms films reducing surface tension at the alveolar air-liquid interface. Surfactant protein C (SP-C) plays a key role in rearranging the lipids at the PS surface layers during breathing. The N-terminal segment of SP-C, a lipopeptide of 35 amino acids, contains two palmitoylated cysteines, which affect the stability and structure of the molecule. The C-terminal region comprises a transmembrane α-helix that contains a ALLMG motif, supposedly analogous to a well-studied dimerization motif in glycophorin A. Previous studies have demonstrated the potential interaction between SP-C molecules using approaches such as Bimolecular Complementation assays or computational simulations. In this work, the oligomerization state of SP-C in membrane systems has been studied using fluorescence spectroscopy techniques. We have performed self-quenching and FRET assays to analyze dimerization of native palmitoylated SP-C and a non-palmitoylated recombinant version of SP-C (rSP-C) using fluorescently labeled versions of either protein reconstituted in different lipid systems mimicking pulmonary surfactant environments. Our results reveal that doubly palmitoylated native SP-C remains primarily monomeric. In contrast, non-palmitoylated recombinant SP-C exhibits dimerization, potentiated at high concentrations, especially in membranes with lipid phase separation. Therefore, palmitoylation could play a crucial role in stabilizing the monomeric α-helical conformation of SP-C. Depalmitoylation, high protein densities as a consequence of membrane compartmentalization, and other factors may all lead to the formation of protein dimers and higher-order oligomers, which could have functional implications under certain pathological conditions and contribute to membrane transformations associated with surfactant metabolism and alveolar homeostasis.
    MeSH term(s) Pulmonary Surfactant-Associated Protein C/chemistry ; Pulmonary Surfactant-Associated Protein C/metabolism ; Pulmonary Surfactants/chemistry ; Pulmonary Surfactants/metabolism ; Fluorescence Resonance Energy Transfer ; Lipids/chemistry ; Surface-Active Agents
    Chemical Substances Pulmonary Surfactant-Associated Protein C ; Pulmonary Surfactants ; Lipids ; Surface-Active Agents
    Language English
    Publishing date 2023-11-20
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1106283-6
    ISSN 1469-896X ; 0961-8368
    ISSN (online) 1469-896X
    ISSN 0961-8368
    DOI 10.1002/pro.4835
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.A 3407: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (2.OG)
    ab Jg. 2022: Lesesaal (EG)
    Zs.MO 1: Show issues

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  9. Article ; Online: Förster Resonance Energy Transfer as a Tool for Quantification of Protein-Lipid Selectivity.

    Loura, Luís M S / Prieto, Manuel / Fernandes, Fábio

    Methods in molecular biology (Clifton, N.J.)

    2019  Volume 2003, Page(s) 369–382

    Abstract: This chapter addresses the determination of protein-lipid selectivity, here described as the preference of a protein for having a specific type of lipid in its vicinity, from Förster resonance energy transfer methodologies. These allow a quantification ... ...

    Abstract This chapter addresses the determination of protein-lipid selectivity, here described as the preference of a protein for having a specific type of lipid in its vicinity, from Förster resonance energy transfer methodologies. These allow a quantification of the effect, that is, the determination of the biasing in distribution of the lipid under study around the protein, as compared to its bulk membrane distribution, with advantages over established approaches that have been used for the same purpose, such as electron spin resonance spectroscopy. The experiment can be carried out with steady-state instrumentation, the formalisms are described in detail, and the model can be applied to a membrane protein of any size.
    MeSH term(s) Fluorescence Resonance Energy Transfer/methods ; Lipid Bilayers/chemistry ; Membrane Lipids/chemistry ; Membrane Proteins/chemistry ; Membranes/chemistry
    Chemical Substances Lipid Bilayers ; Membrane Lipids ; Membrane Proteins
    Language English
    Publishing date 2019-05-01
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1940-6029
    ISSN (online) 1940-6029
    DOI 10.1007/978-1-4939-9512-7_16
    Database MEDical Literature Analysis and Retrieval System OnLINE

    Full text online

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  10. Article ; Online: The Secret Lives of Fluorescent Membrane Probes as Revealed by Molecular Dynamics Simulations.

    Filipe, Hugo A L / Moreno, Maria João / Loura, Luís M S

    Molecules (Basel, Switzerland)

    2020  Volume 25, Issue 15

    Abstract: Fluorescent probes have been employed for more than half a century to study the structure and dynamics of model and biological membranes, using spectroscopic and/or microscopic experimental approaches. While their utilization has led to tremendous ... ...

    Abstract Fluorescent probes have been employed for more than half a century to study the structure and dynamics of model and biological membranes, using spectroscopic and/or microscopic experimental approaches. While their utilization has led to tremendous progress in our knowledge of membrane biophysics and physiology, in some respects the behavior of bilayer-inserted membrane probes has long remained inscrutable. The location, orientation and interaction of fluorophores with lipid and/or water molecules are often not well known, and they are crucial for understanding what the probe is actually reporting. Moreover, because the probe is an extraneous inclusion, it may perturb the properties of the host membrane system, altering the very properties it is supposed to measure. For these reasons, the need for independent methodologies to assess the behavior of bilayer-inserted fluorescence probes has been recognized for a long time. Because of recent improvements in computational tools, molecular dynamics (MD) simulations have become a popular means of obtaining this important information. The present review addresses MD studies of all major classes of fluorescent membrane probes, focusing in the period between 2011 and 2020, during which such work has undergone a dramatic surge in both the number of studies and the variety of probes and properties accessed.
    MeSH term(s) Fluorescent Dyes/chemistry ; Lipid Bilayers/chemistry ; Molecular Dynamics Simulation
    Chemical Substances Fluorescent Dyes ; Lipid Bilayers
    Language English
    Publishing date 2020-07-28
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules25153424
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

To top