A theoretical study on structure, stability and biological activity of platinum(II) complexes containing etyleugenoxyacetate and 8-hydroxyquinoline

Authors: Nguyen Ta Nguyet Nu; Phan Dang Cam Tu; Nguyen Thi Thanh Chi; Nguyen Tien Trung; Truong Thi Cam Mai
Journal: Quy Nhon University Journal of Science
Published: 2019/02/28
Volume/Issue: Vol. 13, Issue 1
Pages: 83-93

Abstract

Sixstable structures were found of the interaction between [PtCl 3 (Eteug)] - and 8-hydroxyquinoline at B3LYP/LanL2DZ level of theory. Variations of enthalpy and Gibbs free energies of reactions forming complexes are in the range of 36.28-113.19 kcal.mol -1 and 43.05-113.03 kcal.mol -1 . The AIM results indicate that the stability of complexes is mainly determined by the Pt ž ž ž N, Pt ž ž ž O interactions with an additional complementary of O − H ž ž ž Cl, C − H ž ž ž O, C−H∙∙∙Cl hydrogen bonds . Besides, Pt(II) complexes containing etyleugenoxyacetate and 8- hydroxyquinoline are synthesized and characterized by IR, 1 H NMR, NOESY spectra. It is remarkable that data from experimental spectra are well matched with the results of the calculations using the B3LYP/LanL2DZ level of theory . [PtCl(Eteug)(8-HOQ)] show a potential anti-cancer cytotoxicity on three the human cancer cells KB, LU and MCF-7 with small IC 50 values of 0.27, 0.34 and 0.32 μg/ml, respectively.

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