Azole-bridged diplatinum anticancer compounds: modulating DNA flexibility to escape repair mechanism and avoid cross resistance
Article Abstract:
Classical molecular dynamics simulations (MD) are used for examining the effect of cisplatin and dinuclear Pt drugs on minor groove flexibility. Findings reveal an imposition of a low strain on the DNA helix by dinuclear Pt compounds and an increase in the energetic barrier associated to minor groove opening.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations
Article Abstract:
Dinuclear Pt-containing compounds might be used to overcome the intrinsic and acquired cell resistance of widely used anticancer drugs such as cisplatin. The drug targets DNA where it forms primarily 1,2-intrastrand cross-links at the GpG site, causing a kink of 40-80 degree toward the major groove.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Electrostatic role of phosphate 2485 in the large ribosomal unit from H.marismortui
Article Abstract:
The role of haloarcula marismortui in the stabilization of the A2486 species is investigated. For this purpose, the molecular simulation method is used.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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