Cisplatin GG-crosslinks within single-stranded DNA: Origin of the preference for left-handed helicity
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F12%3A00061914" target="_blank" >RIV/00216224:14310/12:00061914 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jinorgbio.2012.05.015" target="_blank" >http://dx.doi.org/10.1016/j.jinorgbio.2012.05.015</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jinorgbio.2012.05.015" target="_blank" >10.1016/j.jinorgbio.2012.05.015</a>
Alternative languages
Result language
angličtina
Original language name
Cisplatin GG-crosslinks within single-stranded DNA: Origin of the preference for left-handed helicity
Original language description
Molecular dynamics (MD) simulations of the single-stranded DNA trinucleotide TG*G*, with the G* guanines crosslinked by the antitumor drug cisplatin, were performed with explicit representation of the water as solvent. The purpose of the simulations wasto explain previous NMR observations indicating that in singlestranded cisplatin-DNA adducts, the crosslinked guanines adopt a left-handed helical orientation, whereas in duplexes, the orientation is right handed. The analysis of the MD trajectory of TG*G* has ascribed a crucial role to hydrogen-bonding (direct or through water) interactions of the 5prime oriented NH3 ligand of platinum with acceptor groups at the 5prime-side of the crosslink, namely the TpG* phosphate and the terminal 5prime OH group.These interactions bring about some strain into the trinucleotide which is slightly but significantly (1 to 1.5 kcal/mol) higher for the right-handed orientation than for the left-handed one.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CD - Macromolecular chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Inorganic Biochemistry
ISSN
0162-0134
e-ISSN
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Volume of the periodical
115
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
106-112
UT code for WoS article
000309990500014
EID of the result in the Scopus database
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