Summary of Study ST003416

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR002114. The data can be accessed directly via it's Project DOI: 10.21228/M8C54J This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST003416
Study TitleThe “metabolic fingerprint” of cytotoxic gold drugs in cancer cells disclosed by NMR
Study SummaryNMR metabolomics is a powerful tool for characterizing changes in cancer cell metabolism induced by drug treatment. Here, this approach is used to elucidate the effects of five cytotoxic gold compounds in A2780 human ovarian cancer cells. Namely, two close analogues of auranofin (AF), AFCl and AFI, a gold(I) triphenylphosphine complex, (Ph3P)AuI, and two representative gold(III) compounds, AuL12 and Aubipyc, were investigated. Interestingly, the three gold(I) compounds were found to induce similar and pronounced metabolic changes in the lysates and growth media, whereas the two gold(III) compounds induced only minor changes. The results are analysed and discussed in the context of the existing knowledge on gold-based anticancer drugs, their modes of action and their effects on cellular metabolism. To this end, we included in our dataset four additional gold-based drugs, already individually investigated in previous studies. Statistical tools are used to highlight similarities and differences between the various compounds. Attempts are made to establish well-defined structure-function relationships within the set of tested gold compounds
Institute
University of Florence
Last NameGHINI
First NameVERONICA
AddressVia Aretina, 159, Firenze, FI
Emailghini.veronica@hotmail.it
Phone03922800462
Submit Date2024-08-17
Raw Data AvailableYes
Raw Data File Type(s)fid
Analysis Type DetailNMR
Release Date2025-02-17
Release Version1
VERONICA GHINI VERONICA GHINI
https://dx.doi.org/10.21228/M8C54J
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR002114
Project DOI:doi: 10.21228/M8C54J
Project Title:The “metabolic fingerprint” of cytotoxic gold drugs in cancer cells disclosed by NMR
Project Type:NMR-based metabolomics
Project Summary:NMR metabolomics is a powerful tool for characterizing changes in cancer cell metabolism induced by drug treatment. Here, this approach is used to elucidate the effects of five cytotoxic gold compounds in A2780 human ovarian cancer cells. Namely, two close analogues of auranofin (AF), AFCl and AFI, a gold(I) triphenylphosphine complex, (Ph3P)AuI, and two representative gold(III) compounds, AuL12 and Aubipyc, were investigated. Interestingly, the three gold(I) compounds were found to induce similar and pronounced metabolic changes in the lysates and growth media, whereas the two gold(III) compounds induced only minor changes. The results are analysed and discussed in the context of the existing knowledge on gold-based anticancer drugs, their modes of action and their effects on cellular metabolism. To this end, we included in our dataset four additional gold-based drugs, already individually investigated in previous studies. Statistical tools are used to highlight similarities and differences between the various compounds. Attempts are made to establish well-defined structure-function relationships within the set of tested gold compounds
Institute:University of Florence
Last Name:GHINI
First Name:VERONICA
Address:via Luigi Sacconi 6
Email:ghini@cerm.unifi.it
Phone:03922800462

Subject:

Subject ID:SU003543
Subject Type:Cultured cells
Subject Species:Homo sapiens
Taxonomy ID:9606
Cell Strain Details:Human ovarian A2780 cancer cells
Species Group:Mammals

Factors:

Subject type: Cultured cells; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Sample type Treatment time of treatment (hours)
SA377312Cell_AFCl_2_24h_300124cell lysate AFCl 24
SA377313Cell_AFCl_1_24h_190224cell lysate AFCl 24
SA377314Cell_AFCl_2_24h_190224cell lysate AFCl 24
SA377315Cell_AFCl_1_24h_300124cell lysate AFCl 24
SA377316Cell_AFCl_3_24h_190224cell lysate AFCl 24
SA377317Cell_AFCl_3_24h_300124cell lysate AFCl 24
SA377318Cell_AFI_1_24h_300124cell lysate AFI 24
SA377319Cell_AFI_2_24h_190224cell lysate AFI 24
SA377320Cell_AFI_2_24h_300124cell lysate AFI 24
SA377321Cell_AFI_3_24h_190224cell lysate AFI 24
SA377322Cell_AFI_3_24h_300124cell lysate AFI 24
SA377323Cell_AFI_1_24h_190224cell lysate AFI 24
SA377324Cell_AF_1_24h_030523cell lysate AF 24
SA377325Cell_AF_2_24h_030523cell lysate AF 24
SA377326Cell_AF_2_24h_290324cell lysate AF 24
SA377327Cell_AF_3_24h_030523cell lysate AF 24
SA377328Cell_AF_3_24h_290324cell lysate AF 24
SA377329Cell_AF_1_24h_290324cell lysate AF 24
SA377362Cell_Aubipyc_3_24h_2610cell lysate Aubipyc 24
SA377363Cell_Aubipyc_3_24h_0301cell lysate Aubipyc 24
SA377364Cell_Aubipyc_2_24h_2610cell lysate Aubipyc 24
SA377365Cell_Aubipyc_2_24h_0301cell lysate Aubipyc 24
SA377366Cell_Aubipyc_1_24h_2610cell lysate Aubipyc 24
SA377367Cell_Aubipyc_1_24h_0301cell lysate Aubipyc 24
SA377438Cell_Aubipyc_2_48h_220323cell lysate aubipyc 48
SA377368Cell_Aubipyc_1_48h_220323cell lysate Aubipyc 48
SA377369Cell_Aubipyc_1_48h_100424cell lysate Aubipyc 48
SA377370Cell_Aubipyc_2_48h_100424cell lysate Aubipyc 48
SA377371Cell_Aubipyc_3_48h_100424cell lysate Aubipyc 48
SA377372Cell_aubipyc_3_48h_220323cell lysate Aubipyc 48
SA377373Cell_Aul12_1_24h_0301cell lysate Aul12 24
SA377374Cell_Aul12_1_24h_0911cell lysate Aul12 24
SA377375Cell_Aul12_3_24h_0911cell lysate Aul12 24
SA377376Cell_Aul12_3_24h_0301cell lysate Aul12 24
SA377377Cell_Aul12_2_24h_0301cell lysate Aul12 24
SA377378Cell_Aul12_2_24h_0911cell lysate Aul12 24
SA377379Cell_Aul12_2_48h_020323cell lysate Aul12 48
SA377380Cell_Aul12_2_48h_100424cell lysate Aul12 48
SA377381Cell_Aul12_3_48h_100424cell lysate Aul12 48
SA377382Cell_Aul12_3_48h_020323cell lysate Aul12 48
SA377383Cell_Aul12_1_48h_020323cell lysate Aul12 48
SA377384Cell_Aul12_1_48h_100424cell lysate Aul12 48
SA377330Cell_CN2_1_24h_2410cell lysate Au(NHC)2 24
SA377331Cell_CN2_3_24h_0822cell lysate Au(NHC)2 24
SA377332Cell_CN2_2_24h_0822cell lysate Au(NHC)2 24
SA377333Cell_CN2_1_24h_0822cell lysate Au(NHC)2 24
SA377334Cell_CN2_2_24h_2410cell lysate Au(NHC)2 24
SA377335Cell_CN1_3_24h_0822cell lysate Au(NHC) 24
SA377336Cell_CN1_3_24h_2609cell lysate Au(NHC) 24
SA377337Cell_CN1_2_24h_2609cell lysate Au(NHC) 24
SA377338Cell_CN1_2_24h_0822cell lysate Au(NHC) 24
SA377339Cell_CN1_1_24h_2609cell lysate Au(NHC) 24
SA377340Cell_CN1_1_24h_0822cell lysate Au(NHC) 24
SA377341Cell_TPP_2_24h_070224cell lysate AuPPh3I 24
SA377342Cell_TPP_1_24h_190224cell lysate AuPPh3I 24
SA377343Cell_TPP_1_24h_070224cell lysate AuPPh3I 24
SA377344Cell_TPP_3_24h_190224cell lysate AuPPh3I 24
SA377345Cell_TPP_3_24h_070224cell lysate AuPPh3I 24
SA377346Cell_TPP_2_24h_190224cell lysate AuPPh3I 24
SA377347Cell_AuTM_3_24h_2609cell lysate AuTM 24
SA377348Cell_AuTM_3_24h_2010cell lysate AuTM 24
SA377349Cell_AuTM_2_24h_2010cell lysate AuTM 24
SA377350Cell_AuTM_2_24h_2609cell lysate AuTM 24
SA377351Cell_AuTM_1_24h_2010cell lysate AuTM 24
SA377352Cell_AuTM_1_24h_2609cell lysate AuTM 24
SA377353Cell_AuTM_1_48h_171123cell lysate AuTM 48
SA377354Cell_AuTM_2_48h_280923cell lysate AuTM 48
SA377355Cell_AuTM_2_48h_301023cell lysate AuTM 48
SA377356Cell_AuTM_1_48h_301023cell lysate AuTM 48
SA377357Cell_AuTM_3_48h_301023cell lysate AuTM 48
SA377358Cell_AuTM_3_48h_280923cell lysate AuTM 48
SA377359Cell_AuTM_3_48h_171123cell lysate AuTM 48
SA377360Cell_AuTM_2_48h_171123cell lysate AuTM 48
SA377361Cell_AuTM_1_48h_280923cell lysate AuTM 48
SA377385Cell_CTR_3_24h_0911cell lysate CTR 24
SA377386Cell_CTR_3_24h_2609cell lysate CTR 24
SA377387Cell_CTR_2_24h_190224cell lysate CTR 24
SA377388Cell_CTR_3_24h_070224cell lysate CTR 24
SA377389Cell_CTR_3_24h_190224cell lysate CTR 24
SA377390Cell_CTR_3_24h_2010cell lysate CTR 24
SA377391Cell_CTR_2_24h_2010cell lysate CTR 24
SA377392Cell_CTR_3_24h_2610cell lysate CTR 24
SA377393Cell_CTR_3_24h_290324cell lysate CTR 24
SA377394Cell_CTR_3_24h_300124cell lysate CTR 24
SA377395Cell_CTR_3_24h_0301cell lysate CTR 24
SA377396Cell_CTR_1_24h_2410cell lysate CTR 24
SA377397Cell_CTR_2_24h_2410cell lysate CTR 24
SA377398Cell_CTR_3_24h_030523cell lysate CTR 24
SA377399Cell_CTR_3_24h_0822cell lysate CTR 24
SA377400Cell_CTR_1_24h_2610cell lysate CTR 24
SA377401Cell_CTR_1_24h_070224cell lysate CTR 24
SA377402Cell_CTR_2_24h_0911cell lysate CTR 24
SA377403Cell_CTR_2_24h_0822cell lysate CTR 24
SA377404Cell_CTR_2_24h_070224cell lysate CTR 24
SA377405Cell_CTR_2_24h_030523cell lysate CTR 24
SA377406Cell_CTR_2_24h_0301cell lysate CTR 24
SA377407Cell_CTR_1_24h_300124cell lysate CTR 24
SA377408Cell_CTR_1_24h_290324cell lysate CTR 24
SA377409Cell_CTR_2_24h_2609cell lysate CTR 24
SA377410Cell_CTR_1_24h_2609cell lysate CTR 24
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Collection:

Collection ID:CO003536
Collection Summary:A2780 cells were seeded in 100/20 mm tissue-culture plates at 225x10^3 cells/mL (total volume 8 mL) and grown for 24 h, then exposed to a concentration of the compounds, equal to their respective IC50 values at 72h - to work under condition of equal toxicity. The incubation was stopped at 24 h or 48 h of treatment, to monitor the treatment-induced metabolic changes before the occurrence of significant apoptosis. As control, untreated cells were growth in parallel for the same time period. At the end of the incubation time, 1 mL of the RPMI medium was collected for the NMR analysis and the cells were washed three times with PBS and then scraped in PBS supplemented with a protease-phosphatase inhibitor cocktail diluted in DMSO (Sigma-Aldrich) - used to quench the enzymatic activities and to stabilize the cellular metabolome. Cells were lysed by sonication in ice and then centrifuged at 200 000g for 30 min, at 4 °C. All the samples were stored at −80 °C.
Sample Type:Ovarian cancer cells
Storage Conditions:-80℃

Treatment:

Treatment ID:TR003552
Treatment Summary:The NMR-based metabolomics analysis was performed on cell lysates and growth media of A2780 cells treated with the nine gold-compounds: auranofin (AF), AFCl, AFI, aurothiomalate (AuTM), Aul12, Aubipyc, Au(NHC), Au(NHC)2, AuPPh3I.

Sample Preparation:

Sampleprep ID:SP003550
Sampleprep Summary:For the preparation of NMR samples, 55 μL of 2H2O were added to 495 μL of each sample. For the analysis of growth media, all the samples were thawed and analyzed together using an automatic refrigerated sample changer. For this type of samples, an aliquot of 300 μL of sodium phosphate buffer (70 mM Na2HPO4; 20% v/v 2H2O; 4.6 mM TMSP, pH 7.4) was added to 300 μL of each medium. Both mixtures were homogenized by vortexing for 30 s and transferred into 5 mm NMR tubes (Bruker BioSpin srl).

Analysis:

Analysis ID:AN005615
Analysis Type:NMR
Num Factors:29
Num Metabolites:45
Units:AU

NMR:

NMR ID:NM000289
Analysis ID:AN005615
Instrument Name:Bruker 600 MHz
Instrument Type:FT-NMR
NMR Experiment Type:1D-1H
Spectrometer Frequency:600.13 MHz proton Larmor frequency
NMR Probe:5 mm PATXI 1H–13C–15N and 2H-decoupling probe
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