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Direct Determinatio...
Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics
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- Czapla-Masztafiak, Joanna (author)
- Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.;PSI, CH-5232 Villigen, Switzerland.
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- Nogueira, Juan J. (author)
- Univ Vienna, Inst Theoret Chem, Fac Chem, Wahringer Str 17, A-1090 Vienna, Austria.
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- Lipiec, Ewelina (author)
- Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.;Swiss Fed Inst Technol, Vladimir Prelog Weg 1-5-10, CH-8093 Zurich, Switzerland.
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- Kwiatek, Wojciech M. (author)
- Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
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- Wood, Bayden R. (author)
- Monash Univ, Sch Chem, Ctr Biospectroscopy, Victoria 3800, Australia.
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- Deacon, Glen B. (author)
- Monash Univ, Sch Chem, Fac Sci, Clayton, Vic 3800, Australia.
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- Kayser, Yves (author)
- PSI, CH-5232 Villigen, Switzerland.
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- Fernandes, Daniel L. A. (author)
- Uppsala universitet,Fysikalisk kemi
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- Pavliuk, Mariia V. (author)
- Uppsala universitet,Fysikalisk kemi
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- Szlachetko, Jakub (author)
- PSI, CH-5232 Villigen, Switzerland.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, Swietokrzyska 15 St, PL-25406 Kielce, Poland.
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- Gonzalez, Leticia (author)
- Univ Vienna, Inst Theoret Chem, Fac Chem, Wahringer Str 17, A-1090 Vienna, Austria.
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- Sá, Jacinto (author)
- Uppsala universitet,Fysikalisk kemi,Polish Acad Sci, Inst Phys Chem, Ul Kasprzaka 44-52, PL-01224 Warsaw, Poland.
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Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland;PSI, CH-5232 Villigen, Switzerland. Univ Vienna, Inst Theoret Chem, Fac Chem, Wahringer Str 17, A-1090 Vienna, Austria. (creator_code:org_t)
- 2017-02-03
- 2017
- English.
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In: The Journal of Physical Chemistry Letters. - : AMER CHEMICAL SOC. - 1948-7185. ; 8:4, s. 805-811
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- The lack of molecular mechanistic understanding of the interaction between metal complexes and biomolecules hampers their potential medical use. Herein we present a robust procedure combining resonant X-ray emission spectroscopy and multiscale molecular dynamics simulations, which allows for straightforward elucidation of the precise interaction mechanism at the atomic level. The report unveils an unforeseen hydrolysis process and DNA binding of [Pt{N(p-HC6F4)CH2}(2)py(2)] (Pt103), which showed potential cytotoxic activity in the past. Pt103 preferentially coordinates to adjacent adenine sites, instead of guanine sites as in cisplatin, because of its hydrogen bond ability. Comparison with previous research on cisplatin suggests that selective binding to guanine or adenine may be achieved by controlling the acidity of the compound.
Subject headings
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinska och farmaceutiska grundvetenskaper -- Läkemedelskemi (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Basic Medicine -- Medicinal Chemistry (hsv//eng)
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Czapla-Masztafia ...
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Nogueira, Juan J ...
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Lipiec, Ewelina
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Kwiatek, Wojciec ...
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Wood, Bayden R.
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Deacon, Glen B.
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show more...
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Kayser, Yves
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Fernandes, Danie ...
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Pavliuk, Mariia ...
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Szlachetko, Jaku ...
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Gonzalez, Letici ...
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Sá, Jacinto
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Physical Chemist ...
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- MEDICAL AND HEALTH SCIENCES
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MEDICAL AND HEAL ...
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and Basic Medicine
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and Medicinal Chemis ...
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Uppsala University