Synthesis and characterization of a tetra-(benzylammonium) dihydrogen decavanadate dihydrate compound inhibiting MDA-MB-231 human breast cancer cells proliferation and migration

•A new decavanadate compound (C7H10N)4[H2V10O28]·2H2O were synthesized.•Its structure is dominated by H…O/O…H (52.5%) and H…H (22%) contacts.•This molecule inhibits the proliferation and migration of human MDA-MB-231 breast cancer cells.•(C7H10N)4[H2V10O28]·2H2O compound could be a promising therape...

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Bibliographic Details
Published in:	Journal of molecular structure Vol. 1250; p. 131929
Main Authors:	Ksiksi, Regaya, Essid, Amine, Kouka, Saffana, Boujelbane, Faten, Daoudi, Mahmoud, Srairi-Abid, Najet, Zid, Mohamed Faouzi
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 15-02-2022
Subjects:	Cancer inhibitor Crystal structure Decavanadate Hirshfeld surface analysis Synthesis X-ray powder diffraction Hirshfeld surface analysis Synthesis X-ray powder diffraction Cancer inhibitor IR Decavanadate Crystal structure
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Summary:	•A new decavanadate compound (C7H10N)4[H2V10O28]·2H2O were synthesized.•Its structure is dominated by H…O/O…H (52.5%) and H…H (22%) contacts.•This molecule inhibits the proliferation and migration of human MDA-MB-231 breast cancer cells.•(C7H10N)4[H2V10O28]·2H2O compound could be a promising therapeutic molecule against breast cancer. Single crystals of tetra-(benzylammonium) dihydrogen decavanadate dihydrate, (C7H10N)4[H2V10O28]·2H2O, were grown in an aqueous solution at room temperature. The decavanadate compound was characterized by IR spectroscopy and X-ray powder diffraction. This compound crystallizes in the triclinic system, space group P-1, with a = 10.119(5) Å, b = 10.284(3) Å, c = 13.945(6) Å, α = 69.87(3), β= 72.47(4), γ = 61.15(3), V = 1177.24(1) Å3 and Z = 1. The formula unit of decavanadate compound consists of one dihydrogen decavanadate anion [H2V10O28]4−, four organic cations (C7H10N)+ and two water molecules. The three-dimensional Hirshfeld surface (3D-HS) and their relative two-dimensional fingerprint plots (2D-FP) of (C7H10N)4[H2V10O28]·2H2O compound, revealed that the structure is dominated by H…O/O…H (52.5%) and H…H (22%) contacts. Interestingly, when tested on MDA-MB231 triple negative human breast cancer cells, the (C7H10N)4[H2V10O28]·2H2O compound inhibits their proliferation and migration at a micromolar range, suggesting its potential use as therapeutic molecule against breast cancer. [Display omitted]
ISSN:	0022-2860 1872-8014
DOI:	10.1016/j.molstruc.2021.131929