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Title: A DFT investigation on interactions between asymmetric derivatives of cisplatin and nucleobase guanine
Authors: T.B Tai
Phạm, Vũ Nhật
Keywords: Cisplatin
Hydrogen bonding
Density functional theory
Issue Date: 2017
Series/Report no.: Chemical Physics Letters;680 .- p.44-50
Abstract: The interactions of hydrolysis products of cisplatin and its asymmetric derivatives cis- and trans-[PtC1₂(iPram)(Mepz)] with guanine were studied using DFT methods. These interactions are dominated by electrostatic effects, namely hydrogen bond contributions and there exists a charge flow from H-atoms of ligands to the O-atoms of guanine. The replacement of NH³ moieties by larger functional groups accompanies with a moderate reaction between Ptᴵᴵ and guanine molecule, diminishing the cytotoxicity of the drug. The asymmetric and symmetric NH₂ stretching modes of complexes having strong hydrogen bond interactions are red shifted importantly as compared to complexes without presence of hydrogen bond interactions.
Appears in Collections:Tạp chí quốc tế

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