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Wyszukujesz frazę "molecular receptor" wg kryterium: Temat

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    Wyświetlanie 1-10 z 10
    Tytuł:
    Molecular dynamics simulation studies of lipid bilayer systems.
    Autorzy:
    Pasenkiewicz-Gierula, Marta
    Murzyn, Krzysztof
    Róg, Tomasz
    Czaplewski, Cezary
    Powiązania:
    https://bibliotekanauki.pl/articles/1044295.pdf
    Data publikacji:
    2000
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    phosphatidylethanolamine
    cholesterol
    vasopressin receptor,molecular dynamics simulations
    magainin-2
    phosphatidylcholine
    phosphatidylglycerol
    Opis:
    The main structural element of biological membranes is a liquid-crystalline lipid bilayer. Other constituents, i.e. proteins, sterols and peptides, either intercalate into or loosely attach to the bilayer. We applied a molecular dynamics simulation method to study membrane systems at various levels of compositional complexity. The studies were started from simple lipid bilayers containing a single type phosphatidylcholine (PC) and water molecules (PC bilayers). As a next step, cholesterol (Chol) molecules were introduced to the PC bilayers (PC-Chol bilayers). These studies provided detailed information about the structure and dynamics of the membrane/water interface and the hydrocarbon chain region in bilayers built of various types of PCs and Chol. This enabled studies of membrane systems of higher complexity. They included the investigation of an integral membrane protein in its natural environment of a PC bilayer, and the antibacterial activity of magainin-2. The latter study required the construction of a model bacterial membrane which consisted of two types of phospholipids and counter ions. Whenever published experimental data were available, the results of the simulations were compared with them.
    Źródło:
    Acta Biochimica Polonica; 2000, 47, 3; 601-611
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Application of Fragment Molecular Orbital Method to investigate dopamine receptors
    Autorzy:
    Preikša, Jokūbas
    Śliwa, Paweł
    Powiązania:
    https://bibliotekanauki.pl/articles/93092.pdf
    Data publikacji:
    2019
    Wydawca:
    Państwowa Wyższa Szkoła Zawodowa w Tarnowie
    Tematy:
    Fragment Molecular Orbital
    molecular dynamic
    dopamine receptor
    Fragment Molecular Orbital (FMO)
    dynamika molekularna
    receptor dopaminowy
    Opis:
    GPCRs are a vast family of seven-domain transmembrane proteins. This family includes dopamine receptors (D1, D2, D3, D4, and D5), which mediate the variety of dopamine-controlled physiological functions in the brain and periphery. Ligands of dopamine receptors are used for managing several neuropsychiatric disorders, including bipolar disorder, schizophrenia, anxiety, and Parkinson’s disease. Recent studies have revealed that dopamine receptors could be part of multiple signaling cascades, rather than of a single signaling pathway. For these targets, a variety of experimental and computational drug design techniques are utilized. In this work, dopamine receptors D2, D3, and D4 were investigated using molecular dynamic method as well as computational ab initio Fragment Molecular Orbital method (FMO), which can reveal atomistic details about ligand binding. The results provided useful insights into the significances of amino acid residues in ligand binding sites. Moreover, similarities and differences between active-sites of three studied types of receptors were examined.
    Źródło:
    Science, Technology and Innovation; 2019, 6, 3; 24-32
    2544-9125
    Pojawia się w:
    Science, Technology and Innovation
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Targets for majority of drugs: G protein-coupled receptors - their structure and interaction with bioligands
    Autorzy:
    Ciarkowski, J.
    Czaplewski, C.
    Pasenkiewicz-Gierula, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/1953953.pdf
    Data publikacji:
    1998
    Wydawca:
    Politechnika Gdańska
    Tematy:
    G protein-coupled receptor
    molecular modelling
    GPCR/bioligand interaction
    molecular dynamics
    membrane
    Opis:
    G protein-coupled receptors (GPCRs) are the most frequent targets for many drugs. They form the largest superfamily of integral membrane proteins, of which more than 1000 members have the following common features: (i) All GPCRs form 7 hydrophobic a-helices of length ~38A (25 amino acids, 7 turns) along a single chain. The consecutive helices alternatively cross the membrane, starting from the extracellular side, so that they form a heptahelical transmembrane domain interwoven with 6 loops, of which the even ones plus the N-terminus create the receptor's extracellular domain while the odd ones plus the C-terminus form its intracellular domain. (ii) All GPCRs are stimulated by diverse extracellular (primary) signals. (iii) Stimulated GPCRs convey the primary signals via their transmembrane and intracellular domains to the cytosolic peripheral heterotrimeric GTP-binding proteins (G proteins), mediating the signal's further transduction to various cellular second messenger systems. A current status of structural studies on GPCRs, consisting of low ~7.5A resolution experimental structures and supplementary molecular modeling, is outlined. Subsequently, some results of authors' own work on studying essential interactions of the V2 vasopressin renal receptor (V2R) with its agonist [Arg8]Vasopressin (AVP) and selected antagonists are presented, as well as their possible impact on the biological signal transduction is discussed. Finally, perspectives for future developments are sketched.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 1998, 2, 4; 583-599
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Modelling drug-receptor interactions in an average binding site for NK2
    Autorzy:
    Alagona, G.
    Ghio, C.
    Monti, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1953954.pdf
    Data publikacji:
    1998
    Wydawca:
    Politechnika Gdańska
    Tematy:
    receptor modelling
    docking
    non covalent interactions
    molecular mechanics
    molecular dynamics
    substituent effects
    Opis:
    A tentative procedure applied to the search for a new antagonist of neurokinin A (NKA) is presented. In parallel a tentative 3-D model of the NK2 receptor was created, using bacteriorhodopsin (BRD) as a template. The residue substitutions were performed in BRD to obtain the sequence for NK2R_H and the seven a-helical segments were optimized forcing the a-helical backbone to match the corresponding aligned parts of BRD, while the arrangements of the side chains were model built based on available site-directed mutagenesis studies. Constrained MM and molecular dynamics simulations were carried out H-bonding a low energy conformer of the known drugs to residues in the receptor site, allowing both the receptor site and drugs to relax. The Connolly surface for each ligand allowed to determine an "average" binding site in which all the low energy conformers of known and prospective drugs were docked and classified according to a statistical index. The whole procedure was repeated exploiting the lately published structure of an actual G protein coupled receptor as a better template, thus producing a cavity in the binding site to directly dock the drugs. Corollary validations of the force fields used are also mentioned. In addition intra- and intermolecular interactions suitable to produce more active drugs were evaluated.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 1998, 2, 4; 563-581
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Molecular docking-based test for affinities of two ligands toward vasopressin and oxytocin receptors.
    Autorzy:
    Ślusarz, Rafał
    Kaźmierkiewicz, Rajmund
    Giełdoń, Artur
    Lammek, Bernard
    Ciarkowski, Jerzy
    Powiązania:
    https://bibliotekanauki.pl/articles/1044173.pdf
    Data publikacji:
    2001
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    simulated annealing
    bioligand docking
    GPCR receptor/bioligand interaction
    molecular dynamics
    Opis:
    Molecular docking simulations are now fast developing area of research. In this work we describe an effective procedure of preparation of the receptor-ligand complexes. The amino-acid residues involved in ligand binding were identified and described.
    Źródło:
    Acta Biochimica Polonica; 2001, 48, 1; 131-135
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Molecular Fingerprints of Thyroid Cancer Cells by Using Library of Molecular Receptors Formed by N-Lipidated Peptides Immobilized on Cellulose
    Autorzy:
    Fraczyk, Justyna
    Walczak, Małgorzata
    Balcerzak, Waldemar
    Pokajewicz, Katarzyna
    Wieczorek, Piotr
    Młynarski, Wojciech
    Fendler, Wojciech
    Kaminski, Zbigniew J.
    Powiązania:
    https://bibliotekanauki.pl/articles/895507.pdf
    Data publikacji:
    2018-08-31
    Wydawca:
    Polskie Towarzystwo Farmaceutyczne
    Tematy:
    surface modification
    cancer markers
    chemical receptor
    molecular mono-layer
    immobilized peptides
    Opis:
    A novel diagnostic method based on recognition of qualitative and quantitative composition of healthy and tumor tissue samples by library of molecular receptors was presented. Molecular receptors were formed by self-organization of N-lipidated peptides attached in the regular fashion via aminophenylamino-1,3,5-triazine linker to the surface of cellulose plate. For samples testing, the library was cloned into multiple, identical copies and for each experiment the new clone was used. The binding process was monitored by staining the discs with Brilliant Black and quantitative color measurement was performed in 256 grade gray scale. Substantial differences in the composition of healthy and tumor samples were observed in most cases. The highly individual chemical fingerprints were found to be reliant on the cancer type. For malignant papillary thyroid cancer statistical analysis identified two receptors most useful for diagnostic purposes.
    Źródło:
    Acta Poloniae Pharmaceutica - Drug Research; 2018, 75, 4; 1017-1029
    0001-6837
    2353-5288
    Pojawia się w:
    Acta Poloniae Pharmaceutica - Drug Research
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Study of molecular docking to detect antihypertensive phytochemicals of Oxalis corniculata Linn. against angiotensin converting enzyme
    Autorzy:
    Mondal, Satinath
    Talukdar, Partha
    Mondal, Tarit Kumar
    Powiązania:
    https://bibliotekanauki.pl/articles/1162851.pdf
    Data publikacji:
    2018
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Angiotensin-converting enzyme
    Antihypertensive phytochemicals
    Molecular docking and interaction
    Oxalis corniculata
    Receptor-ligand binding
    Opis:
    The locally available medicinal plant, Oxalis corniculata Linn. is a common weed and used by villagers to prevent several diseases. The objective of the present study was to detect receptor-ligand binding energy and interaction through molecular docking for phytocompounds established in O. corniculata against angiotensin converting enzyme (ACE) (PDB ID: 1O86). Molecular docking was performed by using PyRx (Version 0.8) for the structure-based virtual screening and visualized the interaction in the MGL tool (Version 1.5.6). Among 16 phytochemicals and 4 antihypertensive synthetic drugs, highest binding energy value (Kcal/mol) was obtained in Apigenin (-8.9) compared to other four drugs such as Lisinopril (-7.7), Temocapril (-7.6), Enalapril (-7.5) and Captopril (-5.7). The binding interaction of target protein with this phytocompound found binding at active site may be showed as competitive inhibitor. In conclusion, phytoligand Apigenin can be a suitable lead compound for antihypertensive agent and an alternative of synthetic drug as per binding energy value and molecular interaction. It is suggesting further pharmacological and toxicological assay with this phytoligand after extraction from O. corniculata to validate the present results of computational screening.
    Źródło:
    World Scientific News; 2018, 110; 42-55
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Immune signalling and vesicular trafficking – intertwining networks regulated by E3 ubiquitin ligases
    Autorzy:
    Stegmann, M.
    Furlan, G.
    Anderson, R.G.
    Ichimura, K.
    McDowell, J.M.
    Shirasu, K.
    Trujillo, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/80842.pdf
    Data publikacji:
    2013
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    conference
    pattern recognition receptor
    pathogen-associated molecular pattern
    ubiquitin ligase
    subunit
    exocytosis
    immune response
    vesicular trafficking
    Źródło:
    BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology; 2013, 94, 3
    0860-7796
    Pojawia się w:
    BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    In silico study by using ProTox-II webserver for oral acute toxicity, organ toxicity, immunotoxicity, genetic toxicity endpoints, nuclear receptor signalling and stress response pathways of synthetic pyrethroids
    Autorzy:
    Ghosh, Subhasis
    Tripathi, Puja
    Talukdar, Partha
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1065392.pdf
    Data publikacji:
    2019
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    In silico study
    Molecular mechanism of toxicity
    Nuclear receptor signalling and stress response pathways
    Predictive toxicology
    Synthetic pyrethroids
    Opis:
    Till date, it is well-known that synthetic pyrethroids are safe to mammal but toxic to non-mammals. The present objective was an in silico study to detect oral acute toxicity, organ toxicity, immunotoxicity, genetic toxicity endpoints, nuclear receptor signalling, and stress response pathways of common synthetic pyrethroids by using ProTox-II webserver. The chemical compounds especially different synthetic pyrethroids such as pyrethrin I, Cinerin I and Jasmolin I (esters of Chrysanthemic acid), Pyrethrin-II, Cinerin II and Jasmolin II (Esters of Pyrethric acid), type I pyrethroids (esters without alpha-cyano group) such as allethrin, resmethrin, permethrin and bifenthrin and type II pyrethroids (esters with alpha-cyano group) such as fenvalerate, cyhalothrin, cypermethrin and deltamethrinwere selected from available literature. ProTox-II webserver was used for toxicological assessment in organism, organs, cell and gene level along with molecular mechanisms of toxicity. The predictive results for the toxicity of common synthetic pyrethroids compounds, Deltamethrin showed highly toxic compound among 14 compounds as fatal if swallowed as class II followed by Cypermethrin, Cyhalothrin, Bifenthrin, Resmethrin, Fenvalerate and Permethrin but hepatotoxic potential was only Deltamethrin and Fenvalerate while immunotoxic was obtained Permethrin. On the other hand, none of the compounds were obtained cytotoxic and carcinogenic but 9 compounds viz. Pyrethrin I, II Cinerin I, II, Jasmolin I, II, Allethrin, Resmethrin and Permethrin were observed mutagenic active. In case of NR signalling pathways, all compounds were inactive but eight compounds such as Pyrethrin I, II, Cinerin I, II, Jasmolin I, II, Allethrin and Resmethrin were obtained nrf2/ARE and HSE active while MMP active compounds were obtained Fenvalerate, Cyhalothrin and Deltamethrin respectively. For p53 and ATAD5 parameters, all fourteen compounds such as were obtained inactive. In conclusion, the present predictive results are suitable for academician, researchers, industries, etc. those who are making drugs and environmental chemicals. This web server helps faster screening of large numbers of compounds within short duration and no animal testing. This present in silico study easily detects toxin(s), which can be validated in future through in vitro and in vivo experimental assay.
    Źródło:
    World Scientific News; 2019, 132; 35-51
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Direct, calcium-independent, regulation of NADPH oxidase during plant innate immunity
    Autorzy:
    Kodota, Y.
    Sklenar, J.
    Derbyshire, P.
    Stransfeli, L.
    Asai, S.
    Ntoukakis, V.
    Shirasu, K.
    Jones, A.
    Zipfel, C.
    Powiązania:
    https://bibliotekanauki.pl/articles/80067.pdf
    Data publikacji:
    2013
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    conference
    plant
    innate immunity
    pathogen-associated molecular pattern
    pattern recognition receptor
    reactive oxygen species
    NADPH oxidase
    calcium-dependent protein kinase
    phosphorylation
    Źródło:
    BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology; 2013, 94, 2
    0860-7796
    Pojawia się w:
    BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
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