Computational chemistry has proved to be extremely effective in the elucidation and clarification of structural and dynamical properties for metal-based complexes. The present reports gathers some recent activity related to the study of metal based compounds with anticancer properties, mainly, but not only, Pt(II) complexes, with the aim of showing how computational methods of different kinds and with different degrees of accuracy can shed light on their geometrical properties, on the thermodynamics, on reaction and activation mechanisms, and their interaction with proteins, so to better drive the search for more effective drugs and/or with less severe side effects.
Insights on the activity of platinum-based anticancer complexes through computational methods
Tolbatov, Iogann;
2018
Abstract
Computational chemistry has proved to be extremely effective in the elucidation and clarification of structural and dynamical properties for metal-based complexes. The present reports gathers some recent activity related to the study of metal based compounds with anticancer properties, mainly, but not only, Pt(II) complexes, with the aim of showing how computational methods of different kinds and with different degrees of accuracy can shed light on their geometrical properties, on the thermodynamics, on reaction and activation mechanisms, and their interaction with proteins, so to better drive the search for more effective drugs and/or with less severe side effects.
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