Summary of Study ST002011
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 PR001275. The data can be accessed directly via it's Project DOI: 10.21228/M8WX21 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.
| Study ID | ST002011 |
| Study Title | The 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 Summary | Here 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. |
| Institute | Pennsylvania State University |
| Department | Department of Biochemistry and Molecular Biology |
| Last Name | Llinas |
| First Name | Manuel |
| Address | W126 Millenium Science Complex, University Park, PA 16802 |
| manuel@psu.edu | |
| Phone | 814-867-3527 |
| Submit Date | 2021-12-08 |
| Raw Data Available | Yes |
| Analysis Type Detail | LC-MS |
| Release Date | 2022-11-02 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003277 | AN003278 | AN003279 |
|---|---|---|---|
| Analysis type | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | Reversed phase |
| Chromatography system | Thermo Dionex Ultimate 3000 RS | Thermo Dionex Ultimate 3000 RS | Thermo Dionex Ultimate 3000 RS |
| Column | Waters XSelect HSS T3 C18 (100 x 2.1mm,2.5um) | Water XSelect HSS T3 C18 (100 x 2.1mm,2.5um) | Water XSelect HSS T3 C18 (100 x 2.1mm,2.5um) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Exactive Plus Orbitrap | Thermo Exactive Plus Orbitrap | Thermo Exactive Plus Orbitrap |
| Ion Mode | NEGATIVE | NEGATIVE | NEGATIVE |
| Units | peak area | peak area | peak area |
Chromatography:
| Chromatography ID: | CH002419 |
| Instrument Name: | Thermo Dionex Ultimate 3000 RS |
| Column Name: | Waters XSelect HSS T3 C18 (100 x 2.1mm,2.5um) |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002420 |
| Instrument Name: | Thermo Dionex Ultimate 3000 RS |
| Column Name: | Water XSelect HSS T3 C18 (100 x 2.1mm,2.5um) |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002421 |
| Instrument Name: | Thermo Dionex Ultimate 3000 RS |
| Column Name: | Water XSelect HSS T3 C18 (100 x 2.1mm,2.5um) |
| Chromatography Type: | Reversed phase |
