The substituent group effect: investigation of naphthalimide-spermidine conjugates binding to DNA by spectroscopy, molecular docking and dynamics

Zhiyong Tian,Tengli Ding,Hanjing Niu,Yeshu Mu, Ning Xu,Ming Kong,Ying Zhang,Zhihui Tian,Yijun Wu,Chaojie Wang

Journal of Molecular Structure（2022）

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摘要

•The interaction of Naphthalimide-polyamine conjugates binding to DNA was studied by spectroscopy, molecular docking and dynamics.•Naphthalimide-polyamine conjugates binding to DNA by intercalation and groove into herring sperm DNA.•There was a substituted group effect in the course of DNA interaction with substituted naphthalide-polyamine conjugates.•Naphthalide-polyamine conjugates could cause the little conformation change of DNA.

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关键词

Naphthalimide-spermidine conjugates,DNA,Spectroscopy,Molecular docking,Dynamics,The substituent group effect

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