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| Description
| - This project is focused on research aimed at design of new metallodrugs which can be characterized as a preparatory phase of applied research toward subsequent industrial and medical development. The impetus for this research results from the need to create theoretical and methodical background for design, synthesis and application of new anticancer metallodrugs. The anticancer activity of several transition metal-based coordination complexes arises from their ability to damage DNA. Hence, the overall significance of this proposal is to ask the fundamental question - can modification of DNA binding of metal-based compounds and thus cell signaling modulate downstream events such that a genuinely different profile of anticancer activity is seen in comparison to the metal-based antitumor agents already used in the clinic? The outputs of this research can be exploited in industrial and medical activities when the potential user takes concrete interest in the results of this project. (en)
- Předmětem řešení tohoto projektu je výzkum cílený na vývoj nových metalofarmak chápaný jako přípravná fáze aplikovaného výzkumu směrovaného na další průmyslový a zdravotnický vývoj. Motivace pro tento výzkum vyplývá z potřeby vytvořit kvalitní teoretické a metodické zázemí pro vývoj, syntézu a aplikaci nových léčiv proti rakovině odvozených od komplexů kovů. Protinádorová účinnost řady komplexů přechodných kovů je podmíněna jejich schopností poškodit DNA. Specifickým cílem tohoto návrhu je tedy odpovědět na zásadní otázku - může modifikace vazby komplexů kovů k DNA a tímto také modifikace signálních drah modulovat následné procesy v buňce do té míry, že tato modifikace povede k opravdu odlišnému profilu protinádorové aktivity ve srovnání s cytostatiky již využívanými v klinické praxi? Jedná se tedy o výzkum, jehož výstupy směřují k využití v průmyslové a zdravotnické činnosti, kdy potenciální budoucí uživatel projevuje předem o výsledky řešení tohoto projektu konkrétní zájem.
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| Title
| - Metallodrugs, design and mechansim of action (en)
- Metalofarmaka, vývoj a mechanismus působení
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| skos:notation
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| http://linked.open...avai/cep/aktivita
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| http://linked.open...kovaStatniPodpora
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| http://linked.open...ep/celkoveNaklady
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| http://linked.open...datumDodatniDoRIV
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| http://linked.open...i/cep/druhSouteze
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| http://linked.open...ep/duvernostUdaju
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| http://linked.open.../cep/fazeProjektu
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| http://linked.open...ai/cep/hlavniObor
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| http://linked.open...hodnoceniProjektu
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| http://linked.open...vai/cep/kategorie
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| http://linked.open.../cep/klicovaSlova
| - platinum; ruthenium; antitumor drugs; DNA; cancer (en)
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| http://linked.open...ep/partnetrHlavni
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| http://linked.open...inujicichPrijemcu
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| http://linked.open...cep/pocetPrijemcu
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| http://linked.open...ocetSpoluPrijemcu
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| http://linked.open.../pocetVysledkuRIV
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| http://linked.open...enychVysledkuVRIV
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| http://linked.open...lneniVMinulemRoce
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| http://linked.open.../prideleniPodpory
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| http://linked.open...iciPoslednihoRoku
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| http://linked.open...atUdajeProjZameru
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| http://linked.open.../vavai/cep/soutez
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| http://linked.open...usZobrazovaneFaze
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| http://linked.open...ai/cep/typPojektu
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| http://linked.open...ep/ukonceniReseni
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| http://linked.open.../cep/vedlejsiObor
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| http://linked.open...ep/zahajeniReseni
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| http://linked.open...jektu+dodavatelem
| - Mechanisms of antitumor effects of conventional and new metal-based compounds, such as Pt and Ru complexes, were studied with the aid of molecular biophysics methods. The results will be exploited for rational design of new antitumor drugs. (en)
- Pomocí metod molekulární biofyziky byl studován mechanismus protinádorového účinku konvenčních a nových komplexů přechodných kovů zejména platiny a ruthenia. Získané výsledky budou využity při racionálním designu nových protinádorových léků. (cs)
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| http://linked.open...tniCyklusProjektu
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| http://linked.open.../cep/klicoveSlovo
| - platinum
- DNA
- antitumor drugs
- ruthenium
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| is http://linked.open...vavai/riv/projekt
of | - Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids
- General Base Catalysis for Cleavage by the Active-Site Cytosine of the Hepatitis Delta Virus Ribozyme: QM/MM Calculations Establish Chemical Feasibility
- Synthesis, biophysical studies, and antiproliferative activity of platinum(II) complexes having 1,2-bis(aminomethyl)carbobicyclic ligands
- Cytotoxicity, mutagenicity, cellular uptake, DNA and glutathione interactions of lipophilic trans-platinum complexes tethered to 1-adamantylamine
- DNA binding of dinuclear iron(II) metallosupramolecular cylinders. DNA unwinding and sequence preference
- DNA interactions of monofunctional organometallic osmium(II) antitumor complexes in cell-free media
- Magnetické mikročástice ve spojení s elektrochemickou analýzou jako mnohostranně využitelné nástroje pro analýzu biomolekulárních interakcí
- Interaction of dinuclear ruthenium(II) supramolecular cylinders with DNA: sequence-specific binding, unwinding, and photocleavage
- Unique properties of DNA interstrand cross-links of antitumor oxaliplatin and the effect of chirality of the carrier ligand
- DNA interactions of dinuclear RuII arene antitumor complexes in cell-free media
- Investigation of the in vitro metabolism of the analgesic flupirtine
- Energetics, conformation, and recognition of DNA duplexes modified by methylated analogues of [PtCl(dien)]+
- DNA adducts of antitumor cisplatin preclude telomeric sequences from forming G quadruplexes
- Single stranded loops of quadruplex DNA as key benchmark for testing nucleic acids force fields
- Studies of the mechanism of action of platinum(II) complexes with potent cytotoxicity in human cancer cells
- Classification and energetics of the base-phosphate interactions in RNA
- Factors affecting DNA-DNA interstrand cross-links in the antiparallel 3'-3' sense: A comparison with the 5'-5' directional isomer
- Ex situ voltammetry and chronopotentiometry of doxorubicin at a pyrolytic graphite electrode: Redox and catalytic properties and analytical applications
- Mechanistic studies of the modulation of cleavage activity of topoisomerase I by DNA adducts of mono- and bi-functional Pt-II complexes
- Dependence of A-RNA simulations on the choice of the force field and salt strength
- The reduction of doxorubicin at a mercury electrode and monitoring its interaction with DNA using constant current chronopotentiometry
- Role of DNA repair in antitumour effects of platinum drugs
- Selective binding of tumor suppressor p53 protein to topologically constrained DNA: Modulation by intercalative drugs
- Molecular dynamics simulations suggest that RNA three-way junctions can act as flexible RNA structural elements in the ribosome
- Protonation states of the key active site residues and structural dynamics of the glmS riboswitch as revealed by molecular dynamics
- Elastic properties of ribosomal RNA building blocks: molecular dynamics of the GTPase-associated center rRNA
- Conformations of flanking bases in HIV-1 RNA DIS kissing complexes studied by Molecular Dynamics
- Conformation, protein recognition and repair of DNA interstrand and intrastrand cross-links of antitumor trans-[PtCl2(NH3)(thiazole)]
- Osmium Tetroxide, 2,2´-Bipyridine: Electroactive Marker for Probing Accessibility of Tryptophan Residues in Proteins
- Conformational Transitions of Flanking Purines in HIV-1 RNA Dimerization Initiation Site Kissing Complexes Studied by Charmm Explicit Solvent Molecular Dynamics
- Tautomeric Equilibrium, Stability, and Hydrogen Bonding in 2-Deoxyguanosine Monophosphate Complexed with Mg2+
- Theoretical Study on the Factors Controlling the Stability of the Borate Complexes of Ribose, Arabinose, Lyxose, and Xylose
- Biophysical Studies on the Stability of DNA Intrastrand Cross-Links of Transplatin
- Trans Hoogsteen/Sugar Edge Base Pairing in RNA. Structures, Energies, and Stabilities from Quantum Chemical Calculations
- An RNA Molecular Switch: Intrinsic Flexibility of 23S rRNA Helices 40 and 68 5 '-UAA/5 '-GAN Internal Loops Studied by Molecular Dynamics Methods
- Deoxyribonuclease I footprinting reveals different DNA binding modes of bifunctional platinum complexes
- RNA kink-turns as molecular elbows: Hydration, cation binding, and large-scale dynamics
- Cations and Hydration in Catalytic RNA: Molecular Dynamics of the Hepatitis Delta Virus Ribozyme
- Trapped water molecules are essential to structural dynamics and function of a ribozyme
- Molecular dynamics simulations of RNA: An in silico single molecule approach
- Determination of the level of DNA modification with cisplatin by catalytic hydrogen evolution at mercury-based electrodes
- A label-free electrochemical test for DNA-binding activities of tumor suppressor protein p53 using immunoprecipitation at magnetic beads
- Conformation and recognition of DNA modified by a new antitumor dinuclear PtII complex resistant to decomposition by sulfur nucleophiles
- Cytotoxicity, cellular uptake, glutathione and DNA interactions of an antitumor large-ring PtII chelate complex incorporating the cis-1,4-diaminocyclohexane carrier ligand
- Dynamics of the base of ribosomal A-site finger revealed by molecular dynamics simulations and Cryo-EM
- Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme
- Binding of mismatch repair protein MutS to mispaired DNA adducts of intercalating ruthenium(II) arene complexes.
- Cytotoxicity, cellular uptake, and DNA interactions of new monodentate ruthenium(II) complexes containing terphenyl arenes
- The contrasting chemistry and cancer cell cytotoxicity of bipyridine and bipyridinediol ruthenium(II) arene complexes
- DNA and glutathione interactions in cell-free media of asymmetric platinum(II) complexes cis- and trans-[PtCl2(isopropylamine)(1-methylimidazole)]: relations to their different antitumor effects
- Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues
- Recognition of cisplatin-damaged DNA by p53 protein: Critical role of the p53 C-terminal domain
- Cationic nonsymmetric transplatinum complexes with piperidinopiperidine ligands. Preparation, characterization, in vitro cytotoxicity, in vivo toxicity, and anticancer efficacy studies
- Mechanism of action of anticancer titanocene derivatives: An insight from quantum chemical calculations
- Interaction of metal cations with nucleic acids and their building units
- Structural characterization, DNA interactions, and cytotoxicity of new transplatin analogues containing one aliphatic and one planar heterocyclic amine ligand
- Molecular aspects of antitumor effects of a new platinum(IV) drug
- DNA binding mode of ruthenium complexes and relationship to tumor cell toxicity
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