Issue 76, 2017, Issue in Progress

Biological evaluation of dinuclear copper complex/dichloroacetic acid cocrystal against human breast cancer: design, synthesis, characterization, DFT studies and cytotoxicity assays

Abstract

Binuclear copper(II) cocrystal “[Cu2(valdien)2⋯2Cl2CHCOOH],” 1 was synthesized from H2valdien scaffold and anticancer drug pharmacophore “dichloroacetic acid” embedded with two Cu(II) connected via a hydrogen bonded network. [Cu2(valdien)2⋯2Cl2CHCOOH] 1 was thoroughly characterized by single-crystal XRD and by other spectroscopic techniques. The non-covalent interaction (NCI) index and Hirshfeld surface analysis were used to study the various kinds of interactions (O⋯H, N⋯H, H⋯Cl, Cu⋯H, C⋯O, N⋯O, C⋯Cl, and O⋯Cl, etc.) responsible for the stabilization of crystal lattice. [Cu2(valdien)2⋯2Cl2CHCOOH] 1 was validated as potential antitumor drug entity by studying its DNA binding profile, cleavage mechanism with pBR322 by gel electrophoretic assay and in vitro cytotoxicity on MCF-7 cancer cell lines. The mechanistic pathways were also deduced via dual staining AO/EB of cancer cells which confirmed the potential of the cocrystal [Cu2(valdien)2⋯2Cl2CHCOOH] 1 to act as effective anticancer agent towards breast cancers.

Graphical abstract: Biological evaluation of dinuclear copper complex/dichloroacetic acid cocrystal against human breast cancer: design, synthesis, characterization, DFT studies and cytotoxicity assays

Supplementary files

Article information

Article type
Paper
Submitted
26 Jul 2017
Accepted
28 Sep 2017
First published
12 Oct 2017
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2017,7, 47920-47932

Biological evaluation of dinuclear copper complex/dichloroacetic acid cocrystal against human breast cancer: design, synthesis, characterization, DFT studies and cytotoxicity assays

M. Usman, F. Arjmand, R. A. Khan, A. Alsalme, M. Ahmad and S. Tabassum, RSC Adv., 2017, 7, 47920 DOI: 10.1039/C7RA08262B

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