Summary of Study ST001714
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 PR001098. The data can be accessed directly via it's Project DOI: 10.21228/M8S40D This work is supported by NIH grant, U2C- DK119886. See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST001714 |
| Study Title | Metabolomic Profiling of Atovaquone and Atovaquone-like Resistance Lines |
| Study Summary | Here we interrogated the in vitro metabolic effects of 4 drugs using ultra-high performance liquid chromatography mass-spectrometry (UHPLC-MS). The resulting metabolic fingerprints provide information on the parasite biochemical pathways affected by pharmacologic intervention. We interrogate the metabolic effects of 3 different parasite strains resistant to the drugs also tested. The metabolic effects were compared to their parent strain. The metabolic fingerprints provided show that certain biochemical pathways are affected by the change that arises due to resistance. |
| Institute | Pennsylvania State University |
| Department | Department of Biochemistry and Molecular Biology |
| Last Name | Llinas |
| First Name | Manuel |
| Address | W122 Millennium Science Complex, Pollock Road, University Park, PA 16802 |
| manuel@psu.edu | |
| Phone | 814-867-3527 |
| Submit Date | 2021-01-25 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzXML |
| Analysis Type Detail | LC-MS |
| Release Date | 2026-01-02 |
| Release Version | 1 |
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Project:
| Project ID: | PR001098 |
| Project DOI: | doi: 10.21228/M8S40D |
| Project Title: | Metabolomic Profiling of Atovaquone and Atovaquone-Like Resistant Lines |
| Project Summary: | Here we interrogated the in vitro metabolic effects of 4 drugs using ultra-high performance liquid chromatography mass-spectrometry (UHPLC-MS). The resulting metabolic fingerprints provide information on the parasite biochemical pathways affected by pharmacologic intervention. We interrogate the metabolic effects of 3 different parasite strains resistant to the drugs also tested. The metabolic effects were compared to their parent strain. The metabolic fingerprints provided show that certain biochemical pathways are affected by the change that arises due to resistance. |
| Institute: | Pennsylvania State University |
| Department: | Department of Biochemistry and Molecular Biology |
| Last Name: | Llinas |
| First Name: | Manuel |
| Address: | W122 Millennium Science Complex, Pollock Road, University Park, PA 16802 |
| Email: | manuel@psu.edu |
| Phone: | 814-867-3527 |
Subject:
| Subject ID: | SU001791 |
| Subject Type: | Cultured cells |
| Subject Species: | Plasmodium falciparum |
| Taxonomy ID: | 5833 |
| Species Group: | Unicellular parasites |
Factors:
Subject type: Cultured cells; Subject species: Plasmodium falciparum (Factor headings shown in green)
| mb_sample_id | local_sample_id | Concentration | Treatment time | Parasite Stage |
|---|---|---|---|---|
| SA160397 | CK-2-68-1 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160398 | CK-2-68-3 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160399 | RYL-552-3 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160400 | ATQ1 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160401 | CK-2-68-2 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160402 | RYL-552-2 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160403 | ATQ3 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160404 | RYL-552-1 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160405 | ATQ2 | 10X IC50 | 2.5 hours | MACS purified Troph |
| SA160406 | 6A-3 | N/A | N/A | MACS purified Troph |
| SA160407 | 6A-2 | N/A | N/A | MACS purified Troph |
| SA160408 | 106-1-3 | N/A | N/A | MACS purified Troph |
| SA160409 | 6AC-1 | N/A | N/A | MACS purified Troph |
| SA160410 | 6A-1 | N/A | N/A | MACS purified Troph |
| SA160411 | 6AR-3 | N/A | N/A | MACS purified Troph |
| SA160412 | 106-1-2 | N/A | N/A | MACS purified Troph |
| SA160413 | 6AR-2 | N/A | N/A | MACS purified Troph |
| SA160414 | 6AR-1 | N/A | N/A | MACS purified Troph |
| SA160415 | 6AC-3 | N/A | N/A | MACS purified Troph |
| SA160416 | 6AC-2 | N/A | N/A | MACS purified Troph |
| SA160417 | Blank2 | N/A | N/A | MACS purified Troph |
| SA160418 | Pool1 | N/A | N/A | MACS purified Troph |
| SA160419 | Pool2 | N/A | N/A | MACS purified Troph |
| SA160420 | ND3 | N/A | N/A | MACS purified Troph |
| SA160421 | ND2 | N/A | N/A | MACS purified Troph |
| SA160422 | ND1 | N/A | N/A | MACS purified Troph |
| SA160423 | Pool3 | N/A | N/A | MACS purified Troph |
| SA160424 | Blank1 | N/A | N/A | MACS purified Troph |
| SA160425 | Blank-3 | N/A | N/A | MACS purified Troph |
| SA160426 | Blank-2 | N/A | N/A | MACS purified Troph |
| SA160427 | Blank-1 | N/A | N/A | MACS purified Troph |
| SA160428 | Blank3 | N/A | N/A | MACS purified Troph |
| SA160429 | 106-1-1 | N/A | N/A | MACS purified Troph |
| Showing results 1 to 33 of 33 |
Collection:
| Collection ID: | CO001784 |
| Collection Summary: | Cells were pelleted and the media aspirated prior to extraction |
| Sample Type: | Parasite |
Treatment:
| Treatment ID: | TR001804 |
| Treatment Summary: | Purified iRBCs were treated with 10XIC50 drug for 2.5 hours. No treatment for the Resistance Strains purified. |
Sample Preparation:
| Sampleprep ID: | SP001797 |
| Sampleprep Summary: | 90% Methanol/10% water at 50:1 solvent/cell pellet followed by vortexing and clarification via centrifugation |
| Processing Method: | Lysis |
| Processing Storage Conditions: | 4℃ |
| Extract Cleanup: | Clarification via centrifugation followed by nitrogen drying |
| Extract Storage: | -80℃ |
| Sample Spiking: | Internal Standard 13C4, 15N1-Aspartate used for sample preparation normalizer |
Combined analysis:
| Analysis ID | AN002789 | AN002790 | AN002791 |
|---|---|---|---|
| Chromatography ID | CH002064 | CH002064 | CH002064 |
| MS ID | MS002585 | MS002586 | MS002587 |
| Analysis type | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | Reversed phase |
| Chromatography system | Thermo Exactive Orbitrap Plus | Thermo Exactive Orbitrap Plus | Thermo Exactive Orbitrap Plus |
| Column | Phenomenex Synergi Hydro RP (100x2mm,2.5um,100 A) | Phenomenex Synergi Hydro RP (100x2mm,2.5um,100 A) | Phenomenex Synergi Hydro RP (100x2mm,2.5um,100 A) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap |
| Ion Mode | NEGATIVE | NEGATIVE | NEGATIVE |
| Units | peak area | peak area | peak area |
Chromatography:
| Chromatography ID: | CH002064 |
| Chromatography Summary: | See Wenyun Lu et al Anal. Chem. 2010 |
| Instrument Name: | Thermo Exactive Orbitrap Plus |
| Column Name: | Phenomenex Synergi Hydro RP (100x2mm,2.5um,100 A) |
| Internal Standard: | 13C4, 15N1-Aspartate |
| Preconditioning: | Water Blanks |
| Chromatography Type: | Reversed phase |
MS:
| MS ID: | MS002585 |
| Analysis ID: | AN002789 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | El-Maven analysis |
| Ion Mode: | NEGATIVE |
| MS ID: | MS002586 |
| Analysis ID: | AN002790 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | El-Maven analysis |
| Ion Mode: | NEGATIVE |
| MS ID: | MS002587 |
| Analysis ID: | AN002791 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | El-Maven analysis |
| Ion Mode: | NEGATIVE |
