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Platinum derivatives structural parameters

Molecular mechanics and dynamics studies of metal-nucleotide and metal-DNA interactions to date have been limited almost exclusively to modeling the interactions involving platinum-based anticancer drugs. As with metal-amino-acid complexes, there have been surprisingly few molecular mechanics studies of simple metal-nucleotide complexes that provide a means of deriving reliable force field parameters. A study of bis(purine)diamine-platinum(II) complexes successfully reproduced the structures of such complexes and demonstrated how steric factors influenced the barriers to rotation about the Pt(II)-N(purine) coordinate bonds and interconversion of the head-to-head (HTH) to head-to-tail (HTT) isomers (Fig. 12.4)[2011. In the process, force field parameters for the Pt(II)/nucleotide interactions were developed. A promising new approach involving the use of ab-initio calculations to calculate force constants has been applied to the interaction between Pt(II) and adenine[202]. [Pg.127]


See other pages where Platinum derivatives structural parameters is mentioned: [Pg.384]    [Pg.103]    [Pg.194]    [Pg.86]    [Pg.216]    [Pg.166]    [Pg.195]    [Pg.194]    [Pg.258]    [Pg.6]    [Pg.532]    [Pg.161]    [Pg.465]    [Pg.16]    [Pg.558]    [Pg.152]   
See also in sourсe #XX -- [ Pg.275 , Pg.276 , Pg.1434 ]




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