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Wyszukujesz frazę "molecular receptor" wg kryterium: Temat


Wyświetlanie 1-11 z 11
Tytuł:
Receptory molekularne. Od cząsteczki receptora do funkcjonalnego materiału
Molecular receptors. From receptor molecules to functional materials
Autorzy:
Schroeder, G.
Powiązania:
https://bibliotekanauki.pl/articles/171943.pdf
Data publikacji:
2011
Wydawca:
Polskie Towarzystwo Chemiczne
Tematy:
receptory molekularne
chemia materiałowa
funkcjonalizowane materiały
kwasy boronowe
terpirydyna
molecular receptor
functionalized materials
material chemistry
boronic acids
terpyridine
Opis:
The getting knowledge of the methods of chemical compounds synthesis on the planned construction site, both in terms of arrangement of atoms and functional groups, as well as spatial structure, allowed to obtain a number of new molecular receptor systems that are capable to creating host-guest complexes. The paper will present the way of the proceedings from molecular receptor to new material with this receptor, so in other words from individual molecules to the new material with specific and previously planned properties. This process is presented for two types of molecules: aryloboronic acids and terpyridine. The ability for rapid and reversible formation of boronic acids, esters of 1,2- and 1,3-diols resulted in that these compounds were used for the synthesis of sugar receptors and consequently to build the new generation of the sensors of sugars. 2,2’:6,2’-Terpyridine is ligand, that in solution forms complexes with most transition metal ions. This compound is used for the synthesis of functional polymers, dendrymers and fluorescent sensors of ions. The presentation of the applicability of molecular receptors in the preparation of new functional materials promotes the new approach to the work of chemists. The basic research in which we define the properties of individual molecules and molecular receptors can be the beginning of the application of these compounds in the material chemistry. Additionally it can lead to the synthesis of the new materials with the specific properties or the selective construction of the measuring systems. The process from the molecule that is characterized by well-studied properties to modern material chemistry is limited only by the imagination of chemists and by the demand for new organic materials in the industry and by the new generation of the selective measurement systems.
Źródło:
Wiadomości Chemiczne; 2011, 65, 11-12; 1021-1053
0043-5104
2300-0295
Pojawia się w:
Wiadomości Chemiczne
Dostawca treści:
Biblioteka Nauki
Artykuł
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
    Wyświetlanie 1-11 z 11

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