Summary of Study ST002011

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 PR001275. The data can be accessed directly via it's Project DOI: 10.21228/M8WX21 This work is supported by NIH grant, U2C- DK119886.


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 IDST002011
Study TitleThe anticancer human mTOR inhibitor MLN0128/Sapanisertib with potent multistage in vitro antiplasmodium activity and in vivo antimalarial efficacy in a humanised mouse model is an inhibitor of multiple Plasmodium falciparum kinases.
Study SummaryHere we interrogated the in vitro metabolic effects of 6 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 and offer a critical blueprint for selecting and advancing lead compounds as next-generation antimalarial drugs. Our results reveal several distinctions between compounds with polypharmacological effects.
Pennsylvania State University
DepartmentDepartment of Biochemistry and Molecular Biology
Last NameLlinas
First NameManuel
AddressW126 Millenium Science Complex, University Park, PA 16802
Submit Date2021-12-08
Raw Data AvailableYes
Analysis Type DetailLC-MS
Release Date2022-11-02
Release Version1
Manuel Llinas Manuel Llinas application/zip

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Sample Preparation:

Sampleprep ID:SP002098
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?
Extraction Method:See SA Cobbold et al JBC 2013
Extract Cleanup:Clarification via centrifugation followed by nitrogen drying
Extract Storage:-80?
Sample Spiking:Internal Standard 13C4, 15N1-Aspartate used for sample preparation normalizer