Inelastic Neutron Scattering Study of PtII Complexes Displaying Anticancer Properties |
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| Authors: | Dr Luís A E Batista de Carvalho Dr M Paula M Marques Dr Christine Martin Dr Stewart F Parker Dr John Tomkinson |
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| Institution: | 1. Unidade I&D “Química‐Física Molecular”, University of Coimbra, Rua Larga, 3004‐535 Coimbra (Portugal), Fax: (+351)?239‐826‐541;2. Departamento de Ciências da Vida, University of Coimbra, Ap. 3046, 3001‐401 Coimbra (Portugal);3. CRISMAT, ENSICAEN, 6 Bd Ml Juin, 14050 Caen Cedex (France);4. ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX (United Kingdom) |
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| Abstract: | The well‐known platinum(II) chemotherapeutic drugs cisplatin cis‐(NH3)2PtCl2] and carboplatin Pt(NH3)2C6O4H6], as well as the analogous transplatin trans‐(NH3)2PtCl2], were studied by inelastic neutron scattering (INS) spectroscopy, coupled to quantum mechanical methods, and some ancillary work with X‐ray diffraction on powders. An assignment of the experimental spectra was carried out based on the calculated INS transition frequencies and intensities (at the DFT level), thereby achieving a good correspondence between the calculated and observed data. Unusually good‐quality INS spectra were obtained from about 250 mg, which is the smallest sample of a hydrogenous compound for which a successful INS interpretation has been reported. The knowledge of the local configuration of this kind of complexes is essential for an accurate understanding of their activity, which will pave the way for the rational design of novel third‐generation drugs comprising cisplatin‐ and carboplatin‐like moieties. |
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| Keywords: | anticancer drugs density functional calculations inelastic neutron scattering platinum X‐ray diffraction |
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