Influence of electron density on the biological activity of aniline substituted Schiff base: in silico, in vivo and in vitro authentication

Samuel Michael,Porkodi Jeyaraman,Bhuvaneswari Marimuthu,Rajamanickam Rajasekar,Radha Thanasamy,Karuppiah Arunsunai Kumar,Natarajan Raman

Journal of Molecular Structure（2023）

引用 4|浏览1

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摘要

•Knoevenagel condensate β-diketimines incorporated Cu(II) and Zn(II) complexes.•Carrying out the quantum mechanical examinations using Gaussian 09 W software.•Investigation of possible interactions with DNA by Molecular docking simulation.•In silico, in vitro and in vivo analyses of the synthesized compounds.

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关键词

DFT,Molecular docking,CT DNA,In vitro,In vivo

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