Cyclo-tetravanadate bridged copper complexes as potential double bullet pro-metallodrugs for cancer treatment

Martínez-Valencia, Beatriz; Corona-Motolinia, Nidia D.; Sánchez-Lara, Eduardo; Noriega, Lisset; Sánchez-Gaytán, Brenda L.; Castro, María Eugenia; Meléndez-Bustamante, Francisco J.; González‐Vergara, Enrique

doi:10.1016/j.jinorgbio.2020.111081

Cited by 18 publications

(14 citation statements)

References 79 publications

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“…Metformin, glycine, and bipyridine molecules were used as binders to form coordination compounds with copper. Although we were trying to complete a series of heterobimetallic vanadium/copper complexes, in this case, even though we follow the same reported procedure [ 37 , 38 ], the resulting compounds do not contain the cyclo-tetravanadate moiety. For Compound 1, the vanadium component was absent, and for Compound 2, it remains as the starting material metavanadate.…”

Section: Discussionmentioning

confidence: 99%

“…Additionally, the compound bis(4,7-dimethyl-1,10-phenanthroline) sulfatooxidovanadium(IV), known as Metvan, has been recently used in cytotoxicity studies with human osteosarcoma (MG-63) and human colorectal adenocarcinoma (HT-29) cell lines, displaying impaired cell viability of both cancer cell lines in a low concentration range (0.25–5.0 μM) [ 36 ]. Our group recently reported three new cyclotetravanadates as the first set of V/Cu heterobimetallic compounds with the potential to be used as metallodrugs in cancer treatment [ 37 , 38 ]. Here, we report the synthesis and experimental–theoretical characterization of two new compounds resulting from our search to complete the cyclotetravanadate copper complexes family.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

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Transition metal-based compounds have shown promising uses as therapeutic agents. Among their unique characteristics, these compounds are suitable for interaction with specific biological targets, making them important potential drugs to treat various diseases. Copper compounds, of which Casiopeinas® are an excellent example, have shown promising results as alternatives to current cancer therapies, in part because of their intercalative properties with DNA. Vanadium compounds have been extensively studied for their pharmacological properties and application, mostly in diabetes, although recently, there is a growing interest in testing their activity as anti-cancer agents. In the present work, two compounds, [Cu(Metf)(bipy)Cl]Cl·2H2O and [Cu(Impy)(Gly)(H2O)]VO3, were obtained and characterized by visible and FTIR spectroscopies, single-crystal X-ray diffraction, and theoretical methods. The structural and electronic properties of the compounds were calculated through the density functional theory (DFT) using the Austin–Frisch–Petersson functional with dispersion APFD, and the 6-311 + G(2d,p) basis set. Non-covalent interactions were analyzed using Hirshfeld surface analysis (HSA) and atom in molecules analysis (AIM). Additionally, docking analysis to test DNA/RNA interactions with the Casiopeina-like complexes were carried out. The compounds provide metals that can interact with critical biological targets. In addition, they show interesting non-covalent interactions that are responsible for their supramolecular arrangements.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

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“…Although the activity of the metallodrug arises from a combined effect of both the metal and its coordination sphere, the latter is a key focus in the development of new drug candidates. That is why, certain ligands with pharmaceutical action are of great interest in drug synthesis as they can be strategically released from the preceding coordination sphere by an external stimulus either by photoactivation [13][14][15] or through redox reactions [16][17][18][19] (Fig. 2) and perform the desired medicinal effect.…”

Section: Metal Complexes As Drugsmentioning

confidence: 99%

Non-destructive molecular FTIR spectromicroscopy for real time assessment of redox metallodrugs

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“…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.…”

Section: Introductionmentioning

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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Cyclo-tetravanadate bridged copper complexes as potential double bullet pro-metallodrugs for cancer treatment

Cited by 18 publications

References 79 publications

Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

Non-destructive molecular FTIR spectromicroscopy for real time assessment of redox metallodrugs

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

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