黑色素瘤是一种由黑色素细胞产生的皮肤癌，如果不及早治疗，可以迅速扩散到身体的其他器官。一般来说，黑色素瘤对传统疗法表现出固有的抵抗力。在这方面，正在开发新的潜在药物作为黑色素瘤的可能治疗方法。在本文中，我们报告了一种具有有机分子的新型十钒酸盐化合物的合成，其具有潜在的治疗应用价值。四[甲基咪唑鎓]二氢十钒酸盐 (V) 盐 (C4H7N2)4[H2V10O28] 通过单晶 X 射线衍射、FT-IR、UV-Vis 和 51V NMR 光谱以及热分析进行表征（ TGA 和 DSC）。该化合物在单斜中心对称空间群 P21/c 中结晶。其分子式单元由一个十钒酸二氢阴离子[H2V10O28]4-和四个有机4-甲基咪唑鎓阳离子(C4H7N2)组成。通过对赫什菲尔德表面及其二维指纹图的分析揭示了重要的分子间相互作用是 N-H·O 和 O-H·O 氢键以及有机阳离子之间的 π-π 堆积相互作用。有趣的是，该化合物抑制 IGR39 细胞的活力，处理 24 小时和 72 小时后的 IC50 值分别为 14.65 μM 和 4 μM。使用Annexin V-FITC/IP细胞标记通过流式细胞术分析其作用，结果表明(C4H7N2)4H2V10O28化合物诱导IGR39细胞凋亡和坏死。针对假定靶点 TNFR1 和 GPR40 进行的分子对接研究表明，(C4H7N2)4[H2V10O28] 化合物可能充当这些蛋白质的抑制剂，已知这些蛋白质在黑色素瘤细胞中过度表达。因此，我们可以将其视为一种新的潜在抗黑色素瘤金属药物。版权所有 © 2024。由 Elsevier Inc. 出版。

Melanoma is a skin cancer that arises from melanocytes and can spread quickly to the other organs of the body, if not treated early. Generally, melanoma shows an inherent resistance to conventional therapies. In this regard, new potential drugs are being developed as possible treatments for melanoma. In this paper, we report the synthesis of a new decavanadate compound with organic molecules for a potential therapeutic application. The tetra-[methylimidazolium] dihydrogen decavanadate(V) salt (C4H7N2)4[H2V10O28] is characterized by single-crystal X-ray diffraction, by FT-IR, UV-Vis and 51V NMR spectroscopy, as well as by thermal analysis (TGA and DSC). The compound crystallizes in the monoclinic centrosymmetric space group P21/c. Its formula unit consists of one dihydrogen decavanadate anion [H2V10O28]4- and four organic 4-methylimidazolium cations (C4H7N2)+. Important intermolecular interactions are N-H···O and O-H···O hydrogen bonds and π-π stacking interactions between the organic cations, revealed by analysis of the Hirshfeld surface and its two-dimensional fingerprint plots. Interestingly, this compound inhibits the viability of IGR39 cells with IC50 values of 14.65 μM and 4 μM after 24 h and 72 h of treatment, respectively. The analysis of its effect by flow cytometry using an Annexin V-FITC/IP cell labeling, showed that (C4H7N2)4H2V10O28 compound induced IGR39 cell apoptosis and necrosis. Molecular docking studies performed against TNFR1 and GPR40, as putative targets, suggest that the (C4H7N2)4[H2V10O28] compound may act as inhibitor of these proteins, known to be overexpressed in melanoma cells. Therefore, we could consider it as a new potential metallodrug against melanoma.Copyright © 2024. Published by Elsevier Inc.