Summary of Study ST001985

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 PR001261. The data can be accessed directly via it's Project DOI: 10.21228/M8QD8K 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 IDST001985
Study TitleProfiling Plasmodium falciparum parasites and human red blood cells after treatment with MMV693183
Study SummaryCompound MMV693183 was added to either Plasmodium falciparum or uninfected red blood cells. The concentrations used were 240 nM, 24 nM, and 2.4 nM. Untreated parasites and red blood cells were also used as controls.
Institute
Pennsylvania State University
Last NameLlinás
First NameManuel
AddressW126 Millennium Science Complex, University Park, PENNSYLVANIA, 16802, USA
Emailmanuel@psu.edu
Phone8148673527
Submit Date2021-10-26
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2022-02-16
Release Version1
Manuel Llinás Manuel Llinás
https://dx.doi.org/10.21228/M8QD8K
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001261
Project DOI:doi: 10.21228/M8QD8K
Project Title:Profiling Plasmodium falciparum parasites and human red blood cells after treatment with MMV693183
Project Summary:This project includes data for two distinct biological replicates of 2.5-hour treatment experiments on either magnetically purified Plasmodium falciparum parasites or uninfected human red blood cells. The study also includes an equal number of untreated replicates as a control and treatment with compound MMV693183 at 240 nM, 24 nM, and 2.4 nM.
Institute:Pennsylvania State University
Last Name:Munro
First Name:Justin
Address:Millenium Science Complex, University Park, Pennsylvania, 16802, USA
Email:jtm5518@psu.edu
Phone:484-792-1415
Funding Source:T32 DK120509

Subject:

Subject ID:SU002066
Subject Type:Cultured cells
Subject Species:Plasmodium falciparum
Taxonomy ID:5833
Genotype Strain:3D7
Cell Counts:1*10^8

Factors:

Subject type: Cultured cells; Subject species: Plasmodium falciparum (Factor headings shown in green)

mb_sample_id local_sample_id Factor
SA18576520181204-Blank520181204-Blank
SA18576620181204-Blank420181204-Blank
SA18576720181204-Blank220181204-Blank
SA18576820181204-Blank320181204-Blank
SA18576920181204-Blank120181204-Blank
SA18577020181204-MMV693183P-2.4-220181204-MMV693183P-2.4
SA18577120181204-MMV693183P-2.4-120181204-MMV693183P-2.4
SA18577220181204-MMV693183P-2.4-320181204-MMV693183P-2.4
SA18577320181204-MMV693183P-24-320181204-MMV693183P-24
SA18577420181204-MMV693183P-24-220181204-MMV693183P-24
SA18577520181204-MMV693183P-24-120181204-MMV693183P-24
SA18577620181204-MMV693183P-240-220181204-MMV693183P-240
SA18577720181204-MMV693183P-240-120181204-MMV693183P-240
SA18577820181204-MMV693183P-240-320181204-MMV693183P-240
SA18577920181204-NDP220181204-NDP
SA18578020181204-NDP320181204-NDP
SA18578120181204-NDP120181204-NDP
SA18578220181204-QC183-120181204-QC183
SA18578320181204-QC183-320181204-QC183
SA18578420181204-QC183-220181204-QC183
SA18578520181211-Blank120181211-Blank
SA18578620181211-Blank320181211-Blank
SA18578720181211-Blank520181211-Blank
SA18578820181211-Blank420181211-Blank
SA18578920181211-Blank220181211-Blank
SA18579020181211-MMV693183B-2.4-320181211-MMV693183B-2.4
SA18579120181211-MMV693183B-2.4-120181211-MMV693183B-2.4
SA18579220181211-MMV693183B-2.4-220181211-MMV693183B-2.4
SA18579320181211-MMV693183B-24-320181211-MMV693183B-24
SA18579420181211-MMV693183B-24-220181211-MMV693183B-24
SA18579520181211-MMV693183B-24-120181211-MMV693183B-24
SA18579620181211-MMV693183B-240-320181211-MMV693183B-240
SA18579720181211-MMV693183B-240-120181211-MMV693183B-240
SA18579820181211-MMV693183B-240-220181211-MMV693183B-240
SA18579920181211-NDB320181211-NDB
SA18580020181211-NDB220181211-NDB
SA18580120181211-NDB120181211-NDB
SA18580220181211-QC183-320181211-QC183
SA18580320181211-QC183-120181211-QC183
SA18580420181211-QC183-220181211-QC183
SA18580520190426-183B_2.4_120190426-183B_2.4
SA18580620190426-183B_2.4_320190426-183B_2.4
SA18580720190426-183B_2.4_220190426-183B_2.4
SA18580820190426-183B_24_120190426-183B_24
SA18580920190426-183B_24_220190426-183B_24
SA18581020190426-183B_24_320190426-183B_24
SA18581120190426-183B_240_320190426-183B_240
SA18581220190426-183B_240_120190426-183B_240
SA18581320190426-183B_240_220190426-183B_240
SA18581420190426-183P_2.4_320190426-183P_2.4
SA18581520190426-183P_2.4_120190426-183P_2.4
SA18581620190426-183P_2.4_220190426-183P_2.4
SA18581720190426-183P_24_120190426-183P_24
SA18581820190426-183P_24_220190426-183P_24
SA18581920190426-183P_24_320190426-183P_24
SA18582020190426-183P_240_120190426-183P_240
SA18582120190426-183P_240_320190426-183P_240
SA18582220190426-183P_240_220190426-183P_240
SA18582320190426-Blank220190426-Blank
SA18582420190426-Blank520190426-Blank
SA18582520190426-Blank420190426-Blank
SA18582620190426-Blank320190426-Blank
SA18582720190426-Blank120190426-Blank
SA18582820190426-NDB_220190426-NDB
SA18582920190426-NDB_320190426-NDB
SA18583020190426-NDB_120190426-NDB
SA18583120190426-NDP_220190426-NDP
SA18583220190426-NDP_320190426-NDP
SA18583320190426-NDP_120190426-NDP
SA18583420190426-QC183-120190426-QC183
SA18583520190426-QC183-220190426-QC183
SA18583620190426-QC183-320190426-QC183
Showing results 1 to 72 of 72

Collection:

Collection ID:CO002059
Collection Summary:Parasites were magnetically purified at the early trophozoite stage from cultures of 5-10% parasitemia. Samples were generated with 5 mL of media containing 1*10^8 cells (either parasites or human red blood cells) for the treatment condition. Excess media was removed and the cells were centrifuged and washed once with PBS. Metabolism was quenched with 90% methanol containing 0.25 micromolar of universally labeled C-13, N-15 aspartate. The samples were centrifuged and the metabolites in the methanol were collected and transferred to a new tube to be dried with nitrogen.
Collection Protocol Filename:Metabolite_Extraction_for_LCMS_2017.pdf
Sample Type:Cultured cells
Collection Location:Millenium Science Complex, University Park, Pennsylvania
Storage Conditions:-80℃
Collection Vials:1.5 mL eppendorf
Storage Vials:1.5 mL eppendorf
Collection Tube Temp:On ice
Tissue Cell Quantity Taken:1x10^8 cells per sample in 1 mL total volume

Treatment:

Treatment ID:TR002078
Treatment Summary:In all conditions 1*10^8 cells were cultured in 5 mL of RPMI 1640 media for 2.5 hours. At the start of the incubation period, cells were either not exposed to any drug or exposed to 240 nM, 24 nM, or 2.4 nM MMV693183. Dates reflect date of running an individual sample on the analytical platform.
Treatment Compound:MMV693183
Treatment Route:Transfer to media by pipette
Treatment Dose:5 microliters of drug to a final concentration of 240 nM, 24 nM, or 2.4 nM.
Treatment Vehicle:DMSO
Cell Growth Container:6-well plate
Cell Growth Config:5 mL in each sample well, 1x10^8 infected red blood cells per well, conditions performed in triplicate
Cell Media:RPMI 1640 containing Albumax, Gentamycin, Hypoxanthine, HEPES, Sodium Bicarbonate

Sample Preparation:

Sampleprep ID:SP002072
Sampleprep Summary:Once samples were obtained, metabolism was quenched with 90% methanol containing 0.25 uM labeled aspartate, cells were centrifuged, and the supernatant was removed by nitrogen drying. Sample was reconstituted in 3% HPLC-grade methanol and run on the instrument.
Processing Method:Wash, spin, quench, spin, dry, store at -80 C until run on the instrument, resuspend
Processing Storage Conditions:On ice
Extraction Method:90% methanol extraction
Extract Cleanup:Centrifugation and nitrogen drying
Sample Resuspension:100 uL 3% methanol with 1 uM chlorpropamide
Sample Spiking:0.25 uM Labelled Aspartate, 1 uM chlorpropamide

Combined analysis:

Analysis ID AN003236
Analysis type MS
Chromatography type Reversed phase
Chromatography system Thermo Dionex Ultimate 3000
Column Waters XSelect HSS (100 x 2.1mm,2.5um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Exactive Plus Orbitrap
Ion Mode NEGATIVE
Units Peak Abundance (normalized, blank subtracted, and corrected for baseline noise)

Chromatography:

Chromatography ID:CH002386
Chromatography Summary:Ion-pairing method using reverse-phase chromatography setup.
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:Waters XSelect HSS (100 x 2.1mm,2.5um)
Column Temperature:30
Flow Rate:0.200 mL/minute
Solvent A:97% water/3% methanol; 15 mM acetic acid; 10 mM tributylamine
Solvent B:100% methanol
Chromatography Type:Reversed phase

MS:

MS ID:MS003009
Analysis ID:AN003236
Instrument Name:Thermo Exactive Plus Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Data was centroided using MSConvert and converted to .mzXML for utilization in MzMine and El-Maven software.
Ion Mode:NEGATIVE
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