"Rediscovering and Redesigning" Strategies for Obtaining Vanadium Complexes with Antidiabetic Activity

Lima, Lidiane Mâcedo Alves de; Silva, Amanda Katielly Jordão Pessoa Felix da; Mendonça, Thayná Ferreira de; Silva, José Paulino da; Moura, Severino Vitor do Nascimento; Batista, Eucilene Kélita de Lima; Lira, Eduardo Carvalho; Silva, Wagner E.; Belian, Mônica F.

doi:10.21577/1984-6835.20210020

Cited by 4 publications

(1 citation statement)

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“…As a result, numerous compounds based on decavanadate and cationic organic ligands have been published in recent years, which have been shown to lower blood sugar levels ( Garcia-Vicente et al, 2007 ; Treviño et al, 2015 ; Treviño et al, 2018 ; Treviño and González-Vergara, 2019 ), induce neuronal and cognitive restoration mechanisms while treating metabolic syndrome ( Diaz et al, 2021 ), and inhibit the growth of protozoan parasites ( Li et al, 2010 ; Silva-Nolasco et al, 2020 ). The cytotoxic or differentiating activity of oxidovanadium complexes with organic ligands against various cancer cell types is well known ( Kioseoglou et al, 2015 ; Crans et al, 2018 ; Crans et al, 2019 ; Redher, 2020 ; Samart et al, 2020 ; Macedo Alves de Lima et al, 2021 ; Pessoa et al, 2021 ). However, their limited use in clinical trials is due to concerns about long-term toxicity caused by a lack of data, as well as complex speciation (ligand exchange and redox processes).…”

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confidence: 99%

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

et al. 2022

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The synthesis and theoretical-experimental characterization of a novel diprotanated decavanadate is presented here due to our search for novel anticancer metallodrugs. Tris(2-pyridylmethyl)amine (TPMA), which is also known to have anticancer activity in osteosarcoma cell lines, was introduced as a possible cationic species that could act as a counterpart for the decavanadate anion. However, the isolated compound contains the previously reported vanadium (V) dioxido-tpma moieties, and the decavanadate anion appears to be diprotonated. The structural characterization of the compound was performed by infrared spectroscopy and single-crystal X-ray diffraction. In addition, DFT calculations were used to analyze the reactive sites involved in the donor-acceptor interactions from the molecular electrostatic potential maps. The level of theory mPW1PW91/6–31G(d)-LANL2DZ and ECP = LANL2DZ for the V atom was used. These insights about the compounds’ main interactions were supported by analyzing the noncovalent interactions utilizing the AIM and Hirshfeld surfaces approach. Molecular docking studies with small RNA fragments were used to assess the hypothesis that decavanadate’s anticancer activity could be attributed to its interaction with lncRNA molecules. Thus, a combination of three potentially beneficial components could be evaluated in various cancer cell lines.

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