3, 3′-[succinylbis(diazaneyl)]bis(N,N,N-trimethylpropan-1-ammonium) perchlorate: Synthesis, characterization, computational studies and in vitro anticancer activity against the human colon carcinoma cell line (HT-29)

Journal of Molecular Structure(2023)

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摘要
•3,3′-[succinylbis(diazaneyl)]bis(N,N,N-trimethylpropan-1-ammonium) perchlorate (SAPAP) has been synthesised and found as crystal.•Single crystal X-ray crystallographic techniques implies that molecules of SAPAP arrange themselves along c axis in a helical motif of arrangement.•The compound has been analyzed by using different spectroscopic techniques.•In vitro anticancer activity and ELISA against the human colon carcinoma cell line (HT-29) has been done.•The molecular docking combined DFT, molecular docking, MD simulation and pharmacokinetic analysis study supports the anticancer activity of the title compound.
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关键词
SAPAP,DAPS,Anticancer activity,DFT
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