Molecular Dynamics Simulation Study on the Effect of Oxali-Palladium as a Catalytic Inhibitor of Human Topoisomerase IIα

Among the many anticancer agents targeting topoisomerase IIα enzyme, palladium (II) analogues have gained in popularity as a promising enzyme inhibitor. In this article, molecular docking method and molecular dynamics (MD) simulations were employed to study the mechanism through which oxali-palladiu...

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Veröffentlicht in:Iranian journal of science and technology. Transaction A, Science Science, 2022-12, Vol.46 (6), p.1575-1582
Hauptverfasser: Tavakoli, Nadia, Ghalandari, Behafarid, Badalkhani-Khamseh, Farideh, Ding, Xianting, Divsalar, Adeleh
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Sprache:eng
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