Design and properties of modified DNA quadruplexes and quadruplex-binding ligands.Very recently, we have obtained quite interesting results by in silico design of artificial bases for quadruplex nucleic acids. We are implementing several new structural modifications in the base and sugar regions. Designed systems are further evaluated by methods of molecular dynamics and PMF approaches and the most promising candidates are suggested to our collaborators for preparation of monomeric units suitable for subsequent oligonucleotide solid-phase synthesis. Theoretically predicted properties of the modified systems are investigated experimentally by using NMR spectroscopy.
Smart metallodrug-carrier systems for delivery and targeting.The knowledge of in silico design is used to develop new metallodrugs with optimized binding to macrocyclic cavitands employed as drug carriers. These macrocyclic carriers improve a delivery of the metallodrug to the target in cancer cell and reduce many side effects during the drug transport. Designed systems are synthesized, characterized by NMR spectroscopy (including paramagnetic NMR for ruthenium complexes), and interpreted using correlations with theoretical NMR calculations. The NMR spectroscopy is used for determining the drug-carrier binding constants and conditions for the efficient drug release. Potential drug candidates are suggested for biological testing.
Receptors and nanodevices.Computational design of receptors and nanodevices derived from graphene sheets and fullerenes in external electric and magnetic fields is based on our know-how and well-established methodology (e.g., see our papers PCCP 2014, Chem. Eur. J. 2014). In addition, novel catalysts based on the transition-metal complexes are designed and investigated. The high-level theoretical methods are used to predict the binding and electromagnetic properties of these systems
3D structure of the DNA quadruplex with fluorinated deazaxanthine bases.
list / cards
Name and position |
Phone |
|
---|---|---|
Prof. Radek Marek, Ph.D. Research Group Leader |
+420 54949 5748 | |
Radovan Fiala Senior Researcher |
+420 54949 3771 | |
Marek Nečas, Ph.D. Senior Researcher |
+420 54949 6060 | |
Cina Foroutannejad, Ph.D. Researcher |
+420 54949 3459 | |
Jan Novotný, Ph.D. Postdoctoral Fellow |
+420 54949 2620 | |
Pankaj Lochan Bora PhD student |
+420 54949 2692 | |
Jan Chyba, Ph.D. PhD student |
+420 54949 3769 | |
Lukáš Jeremias, Ph.D. odborný pracovník ve výzkumu |
+420 54949 5796 | |
Michaela Fojtů asistentka |
+420 54949 8527, +420 54949 8958 | |
Petr Kulhánek Researcher |
+420 54949 5459 | |
Michal Masařík, Ph.D. odborný asistent |
+420 54949 3631 | |
Martin Novák PhD student |
+420 54949 2692 | |
Martin Sojka PhD student |
||
Gita Jančaříková Research Project Manager dedicated for Structural biology |
+420 54949 4932 | |
Ondřej Jurček Postdoc |
+420 54949 2692 | |
Ben Joseph Rubiato Cuyacot odborný pracovník - PhD student |
||
Sanaz Malali odborný pracovník - PhD student |
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Pezhman Zarabadi Poor odborný pracovník ve výzkumu - postdoc |
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Tomáš Janda Student |
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Jana Řezníčková Student |
||
Fedor Tiršel |
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Michal Horní PhD student |
+420 54949 5911 | |
Jiří Nečas sklofoukač |
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Petra Munzarová Student |
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Ivo Durník |
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Aleš Novotný |
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Jolana Doupovcová |
||
Michal Knor |
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Jana Mrázková PhD student |
+420 54949 5624 | |
Zahra Badri Postdoctoral Fellow |
||
Esmaeil Farajpour Bonab |
||
David Přichystal odborný pracovník - PhD student |
Supervisor: prof. RNDr. Radek Marek, Ph.D.
Keywords: modified DNA quadruplexes, NMR spectroscopy, structure and biophysical properties
Literature:
29. ledna 2018 9:46
LECTURE: Dr. Ondrej Hovorka: Models of magnetic nanoparticles for biomedical applications
25. ledna 2018 18:21
WHEN: 30. 01. 2018 WHERE: CEITEC BUT, Purkynova 123, large meeting room SPEAKER: Dr Andriy Marko TALK: Advances in PELDOR…