2-Aminopyrimidinium Decavanadate: Experimental and Theoretical Characterization, Molecular Docking, and Potential Antineoplastic Activity

Abstract

The interest in decavanadate anions has increased in recent decades, since these clusters show interesting applications as varied as sensors, batteries, catalysts, or new drugs in medicine. Due to the capacity of the interaction of decavanadate with a variety of biological molecules because of its high negative charge and oxygen-rich surface, this cluster is being widely studied both in vitro and in vivo as a treatment for several global health problems such as diabetes mellitus, cancer, and Alzheimer’s disease. Here, we report a new decavanadate compound with organic molecules synthesized in an aqueous solution and structurally characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis, and single-crystal X-ray diffraction. The decavanadate anion was combined with 2-aminopyrimidine to form the compound [2-ampymH]6[V10O28]·5H2O (1). In the crystal lattice, organic molecules are stacked by π–π interactions, with a centroid-to-centroid distance similar to that shown in DNA or RNA molecules. Furthermore, computational DFT calculations of Compound 1 corroborate the hydrogen bond interaction between pyrimidine molecules and decavanadate anions, as well as the π–π stacking interactions between the central pyrimidine molecules. Finally, docking studies with test RNA molecules indicate that they could serve as other potential targets for the anticancer activity of decavanadate anion.

Tris(2-Pyridylmethylamine)V(O)2 Complexes as Counter Ions of Diprotonated Decavanadate Anion: Potential Antineoplastic Activity

“…These stretching vibrations agree with the terminal V=O groups present in related oxidovanadium(V) complexes ( Biçer et al, 2017 ). The medium intensity bands at 840, 800, and 730 cm −1 corresponds to the asymmetric vibrations of the bonds (V–O b –V), where the oxygen atom bridge two vanadium ions, while the three bands at 570, 510, and 430 cm −1 reveal symmetric vibration modes of the bonds (V–O b –V), in agreement with other FTIR spectra reported previously for related compounds ( Guilherme et al, 2010 ), ( Sánchez-Lara et al, 2014 ; Sánchez-Lara et al, 2015 ; Sánchez-Lara et al, 2016; Sánchez-Lara et al, 2018 ; Sánchez-Lara et al, 2019 ; Sánchez-Lara et al, 2021 ), ( García-García et al, 2021 ).…”

“…Let-7 miRNA, on the other hand, is known as the “keeper of differentiation” and has been discovered as possible cancer and immune response therapeutic agent ( Gilles and Slack, 2018 ; Chirshev et al, 2019 ). Our first findings indicate that decavanadate has a high affinity for miRNA segments ( García-Garcia et al, 2021 ). Here we show that the interaction of decavanadate and Vdioxido-tpma complex can interact with these target molecules; thus, experimental efforts should be carried out to explore this possibility.…”

“…Small non-protein-coding RNAs and mRNA sequences play a central role in cellular regulatory processes and are involved in virtually every aspect of maintaining and transmitting genetic information. Thus, as a working hypothesis, we expand the interaction of decavanadate to RNA as a target molecule ( García-García et al, 2021 ). Docking studies on the interaction of decavanadate anion with various microRNAs (miRNAs) and DNA molecules were evaluated for the putative anticarcinogenic activity.…”

“…Recently, our research group has been involved in the synthesis and experimental and theoretical characterization of decavanadates and cyclo-tetravanadates as potential metallo-prodrugs for the treatment of diabetes and cancer ( Sánchez-Lara et al, 2015 ; Sánchez-Lara et al, 2019 ; Sánchez-Lara et al, 2021 ), ( Martínez-Valencia et al, 2020 ), ( Martínez-Valencia et al, 2020 ), ( Corona-Motolinia et al, 2020 ), and ( García-García et al, 2021 ). We attempted to synthesize a protonated tris(2-pyridoniummehtyl)amine decavanadate to find new candidates under mild hydrothermal conditions.…”

“…,(Sánchez-Lara et al, 2014;Sánchez-Lara et al, 2015;Sánchez-Lara et al, 2016;Sánchez-Lara et al, 2018;Sánchez-Lara et al, 2019;Sánchez-Lara et al, 2021),(García-García et al, 2021).…”