Abstract
Quantum chemical calculations are employed to examine interactions of hydrolysis products of cisplatin and a novel derivative cis-[PtCl2(iPram)(Hpz)] with the purine base sites of DNA using guanine and adenine as model reactants. Thermodynamic parameters, electronic structures, bonding characteristics and spectroscopic properties of the resulting complexes are investigated in the framework of density functional B3LYP method along with correlation-consistent basis sets. The computed results show that these interactions are dominated by electrostatic effects, namely H-bond contributions, and there exists a flow charge from H atoms of ligands to the base. Another remarkable finding is that the replacement of ammine groups by larger ones accompanies with a somewhat moderate reaction between PtII and the nucleobases.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
