Summary of Study ST001074

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR000719. The data can be accessed directly via it's Project DOI: 10.21228/M8R38S This work is supported by NIH grant, U2C- DK119886.


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Study IDST001074
Study TitleOpen source discovery of starting points for next generation chemoprotective antimalarial drugs (Biofocus 1)
Study TypeDrug Exposure
Study SummaryMetabolic examination/confirmation of resistance mutations observed in study
Pennsylvania State University
Last NameOwen
First NameEdward
AddressW-122 Millennium Science Complex, Pollock Road, University Park, PA 16802
Phone(814) 867-3527
Submit Date2018-02-15
Analysis Type DetailLC-MS
Release Date2018-10-16
Release Version1
Edward Owen Edward Owen application/zip

Select appropriate tab below to view additional metadata details:


Project ID:PR000719
Project DOI:doi: 10.21228/M8R38S
Project Title:Open source discovery of starting points for next generation chemoprotective antimalarial drugs (Biofocus 1)
Project Type:LC-MS Metabolomics
Project Summary:Hydrophilic LC-MS analysis of Biofocus 1 compounds as part of functional validation of publication.
Institute:Pennsylvania State University
Laboratory:Llinás Laboratory
Last Name:Owen
First Name:Edward
Address:W-122 Millennium Science Complex, Pollock Road, University Park, PA 16802
Phone:Lab: (814) 867-3527
Funding Source:Bill & Melinda Gates Foundation
Project Comments:RAW files not submitted as untargeted analysis likely ongoing following publication


Subject ID:SU001118
Subject Type:Cultured cells
Subject Species:Homo sapiens
Taxonomy ID:9606
Genotype Strain:3D7
Cell Counts:1x10^8 per technical replicate
Species Group:Plasmodium falciparum


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

mb_sample_id local_sample_id Drug Treatment conc.
SA072463ATQ-20170426Atovaquone 10 nM
SA072464ATQ-20170802Atovaquone 10 nM
SA072465ATQ-20170130Atovaquone 10 nM
SA072466ATQ-20170413Atovaquone 10 nM
SA072467ATQ-20170928Atovaquone 10 nM
SA072468ATQ-20171019Atovaquone 10 nM
SA072469ATQ-20170327Atovaquone 10 nM
SA072470ATQ-20170207Atovaquone 10 nM
SA072471ATQ-20170224Atovaquone 10 nM
SA072472ATQ-20170316Atovaquone 10 nM
SA072473ATQ-20170309Atovaquone 10 nM
SA072474MMV011772-20170928MMV011772 6040 nM
SA072475MMV1010248-20171019MMV1010248 18795 nM
SA072476MMV1068987-20171019MMV1068987 7931.5 nM
SA072477MMV1319550-20170207MMV1319550 9680 nM
SA072478MMV1319550-20170413MMV1319550 9680 nM
SA072479MMV1427995-20170130MMV1427995 1389 nM
SA072480MMV1427995-20170413MMV1427995 1389 nM
SA072481MMV1427995-20170224MMV1427995 1389 nM
SA072482MMV1431916-20170426MMV1431916 6320 nM
SA072483MMV1431916-20170207MMV1431916 6320 nM
SA072484MMV1432165-20170413MMV1432165 1070 nM
SA072485MMV1432165-20170224MMV1432165 1070 nM
SA072486MMV1432165-20170130MMV1432165 1070 nM
SA072487MMV1432711-20170802MMV1432711 860 nM
SA072488MMV1449124-20171019MMV1449124 482.6 nM
SA072489MMV1451822-20170207MMV1451822 560 nM
SA072490MMV1451822-20170327MMV1451822 560 nM
SA072491MMV1454442-20170413MMV1454442 1730 nM
SA072492MMV1454442-20170130MMV1454442 1730 nM
SA072493MMV1454442-20170224MMV1454442 1730 nM
SA072494MMV1490397-20171019MMV1490397 1250 nM
SA072495MMV1490397-20170426MMV1490397 1250 nM
SA072496MMV1490397-20170309MMV1490397 1250 nM
SA072497MMV1490405-20170316MMV1490405 1130 nM
SA072498MMV1490405-20170309MMV1490405 1130 nM
SA072499ND-20170426None (Control) N/A
SA072500ND-20170802None (Control) N/A
SA072501ND-20171019None (Control) N/A
SA072502ND-20170413None (Control) N/A
SA072503ND-20170928None (Control) N/A
SA072504ND-20170327None (Control) N/A
SA072505ND-20170207None (Control) N/A
SA072506ND-20170224None (Control) N/A
SA072507ND-20170309None (Control) N/A
SA072508ND-20170316None (Control) N/A
SA072509ND-20170130None (Control) N/A
Showing results 1 to 47 of 47


Collection ID:CO001112
Collection Summary:Aspiration of 4 mL media, transfer of sample (1 mL containing infected red blood cells) to 1.5 mL tubes
Collection Protocol Filename:Metabolite_Extraction_for_LCMS_2017_Llinas.pdf
Sample Type:Parasite
Collection Method:Aspiration of 4 mL media, transfer of sample (1 mL) to 1.5 mL tubes
Collection Location:Biological safety hood
Collection Frequency:once after 2.5 hours treatment
Collection Duration:Collection and extraction occurs in under 20 minutes per plate
Volumeoramount Collected:1 mL containing 1x10^8 infected cells
Storage Conditions:On ice
Collection Vials:1.5 mL eppendorf
Storage Vials:1.5 mL eppendorf


Treatment ID:TR001132
Treatment Summary:Infected Red Blood cells were exposed to Antimalarial Compounds, associated with sample names
Treatment Protocol Filename:Metabolite_Extraction_for_LCMS_2017_Llinas.pdf
Treatment:Drug Treatment
Treatment Compound:MMV1432165, MMV1451822, MMV1068987, MMV1490405, MMV1490397, MMV1449124, MMV1432711, MMV1454442, MMV1010248, MMV1319550, MMV1427995, MMV1431916, MMV011772
Treatment Route:Addition to media
Treatment Dose:10xIC50
Treatment Dosevolume:10xIC50
Treatment Doseduration:2.5 hours
Treatment Vehicle:Stocks kept in either DMSO or Water
Cell Storage:Temperature/Gas Mixture controlled incubator
Cell Growth Container:6-well plate
Cell Growth Config:5 mL per well, each with 1x10^8 cells
Cell Media:RPMI 1640 w/ Albumax, Gentamycin, Hypoxanthine, HEPES, Sodium Bicarbonate
Cell Harvesting:PBS Wash followed by 90% methanol extraction

Sample Preparation:

Sampleprep ID:SP001125
Sampleprep Summary:Samples washed in PBS, spun down, aspirated, extracted in 90% methanol with labelled aspartate, then dried, resuspended in water labelled with chlorpropamide
Sampleprep Protocol Filename:Metabolite_Extraction_for_LCMS_2017_Llinas.pdf
Processing Method:Wash, Lysis, Drying, resuspension
Processing Storage Conditions:On ice
Extraction Method:90% Methanol Lysis
Extract Storage:-80℃
Sample Resuspension:100 uL water with chlorpropamide

Combined analysis:

Analysis ID AN001756
Analysis type MS
Chromatography type Reversed phase
Chromatography system Thermo Dionex Ultimate 3000
Column Phenomenex Synergi Hydro RP (100 x 2mm,2.5um)
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Plus Orbitrap
Units Average Peak Area


Chromatography ID:CH001240
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:Phenomenex Synergi Hydro RP (100 x 2mm,2.5um)
Chromatography Type:Reversed phase


MS ID:MS001624
Analysis ID:AN001756
Instrument Name:Thermo Q Exactive Plus Orbitrap
Instrument Type:Orbitrap