Dridi Rihab, Abdelkafi-Koubaa Zaineb, Srairi-Abid Najet, Socha Bhavesh, Zid Mohamed Faouzi
University of Tunis El Manar, Faculty of Sciences of Tunis, Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, 2092 El Manar II, Tunis, Tunisia.
University of Tunis El Manar, Salah Azaiz Institute, LR21SP01, Laboratory of Personalized Medicine, Precision Medicine and Investigation in Oncology, Tunis 1006, Tunisia.; University of Tunis El Manar, Pasteur Institute of Tunis, LR20IPT01, Laboratory of Biomolecules, Venoms and Theranostic Applications, Tunis 1002, Tunisia.
J Inorg Biochem. 2024 Jun;255:112533. doi: 10.1016/j.jinorgbio.2024.112533. Epub 2024 Mar 21.
Two bases-decavanadates coordination compounds [(CHN)][Mg(HO)][OV].6HO (1) and [(CHN)][Mg(HO)][OV].4HO (2) have been synthesized and well characterized using vibrational spectroscopy (infrared), UV-Visible analysis and single crystal X-ray diffraction technique. The formula unit, for both compounds, is composed by the decavanadate [VO], hydrated magnesium ion, a counter anion and free water molecules. The transition metal adopts octahedral geometries in both compound (1) and (2). The existence of a multitude of hydrogen bonding interactions for both compounds provides a stable three-dimensional supramolecular structure. Optical absorption reveals a band gap energy indicating the semi-conductive nature of the compound. In this study, the cytotoxic and the anti-proliferative activities of compounds (1) and (2) on human cancer cells (U87 and MDA-MB-231) were investigated. Both compounds demonstrated dose-dependent anti-proliferative activity on U87 and MDA-MB-231 with respective IC values of 0.82 and 0.31 μM and 1.4 and 1.75 μM. These data provide evidence on the potential anticancer activity of [(CHN)][Mg(HO)][OV].6HO and [(CHN)][Mg(HO)][OV].4HO. Molecular docking of the compounds was also examined. Molecular docking studies were performed for both compounds against four target receptors and revealed better binding affinity with these targets in comparison to Cisplatin. Moreover, molecular docking investigations suggest that these compounds may function as potential inhibitors of proteins in brain and breast cells, exhibiting greater efficiency compared to Cisplatin.
两种碱金属十钒酸盐配位化合物[(CHN)][Mg(HO)][OV].6HO (1) 和[(CHN)][Mg(HO)][OV].4HO (2) 已被合成，并使用振动光谱（红外）、紫外可见分析和单晶X射线衍射技术进行了充分表征。两种化合物的化学式单元均由十钒酸盐[VO]、水合镁离子、抗衡阴离子和游离水分子组成。在化合物(1)和(2)中，过渡金属均采用八面体几何构型。两种化合物中大量氢键相互作用的存在提供了稳定的三维超分子结构。光吸收显示出带隙能量，表明该化合物具有半导体性质。在本研究中，研究了化合物(1)和(2)对人癌细胞（U87和MDA-MB-231）的细胞毒性和抗增殖活性。两种化合物对U87和MDA-MB-231均表现出剂量依赖性抗增殖活性，其IC值分别为0.82和0.31 μM以及1.4和1.75 μM。这些数据为[(CHN)][Mg(HO)][OV].6HO和[(CHN)][Mg(HO)][OV].4HO的潜在抗癌活性提供了证据。还对这些化合物进行了分子对接研究。对这两种化合物针对四种靶标受体进行了分子对接研究，结果显示与顺铂相比，它们与这些靶标的结合亲和力更好。此外，分子对接研究表明，这些化合物可能作为脑和乳腺细胞中蛋白质的潜在抑制剂发挥作用，与顺铂相比表现出更高的效率。
