Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies

Inorganica Chimica Acta(2019)

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摘要
Electrostatically enhanced π-π interactions have been analyzed by DFT calculations, molecular electrostatic potential (MEP) surface and non-covalent interaction (NCI plot) index computational tools. The cytostatic potential in Dalton’s lymphoma (DL) cell line by MTT assay, apoptosis assay have been further corroborated with molecular docking simulation.
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关键词
Crystal structure,π-π interaction,Cytotoxicity,Apoptosis,Docking,Pharmacophore
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