Summary of Study ST003117

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 PR001936. The data can be accessed directly via it's Project DOI: 10.21228/M8GB12 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 ID	ST003117
Study Title	Metabolomics of patients with Plasmodium vivax malaria
Study Summary	Background: Malaria is the leading parasitic disease worldwide, with P. vivax being a major challenge for its control. Several studies have indicated metabolomics as a promising tool for combating the disease. Objective: The study evaluated plasma metabolomic profiles of patients with recurrent and non-recurrent P. vivax malaria in the Brazilian Amazon. Methods: Metabolites extracted from the plasma of P. vivax-infected patients were subjected to LC-MS analysis. Untargeted metabolomics was applied to investigate the metabolic profile of the plasma in the two groups. Results: Overall, 51 recurrent and 59 non-recurrent patients were included in the study. Longitudinal metabolomic analysis revealed 52 and 37 significant metabolite features from the recurrent and non-recurrent participants, respectively. Recurrence was associated with disturbances in eicosanoid metabolism. Comparison between groups suggest alterations in vitamin B6 (pyridoxine) metabolism, tyrosine metabolism, 3-oxo-10-octadecatrienoate β-oxidation, and alkaloid biosynthesis II. Integrative network analysis revealed enrichment of other metabolic pathways for the recurrent phenotype, including the butanoate metabolism, aspartate and asparagine metabolism, and N-glycan biosynthesis. Conclusion: The metabolites and metabolic pathways predicted in our study suggest potential biomarkers of recurrence and provide insights into targets for antimalarial development against P. vivax.
Institute	University of Sao Paulo
Last Name	Gardinassi
First Name	Luiz Gustavo
Address	Av. dos Bandeirantes, 3900, Campus Universitário, Ribeirão Preto, SP, Brazil
Email	gardinassi@eerp.usp.br
Phone	55 16 3315-3395
Submit Date	2024-03-01
Raw Data Available	Yes
Raw Data File Type(s)	mzML
Analysis Type Detail	LC-MS
Release Date	2024-04-05
Release Version	1

Select appropriate tab below to view additional metadata details:

Project:

Project ID:	PR001936
Project DOI:	doi: 10.21228/M8GB12
Project Title:	Metabolomics of patients with Plasmodium vivax malaria
Project Summary:	Background: Malaria is the leading parasitic disease worldwide, with P. vivax being a major challenge for its control. Several studies have indicated metabolomics as a promising tool for combating the disease. Objective: The study evaluated plasma metabolomic profiles of patients with recurrent and non-recurrent P. vivax malaria in the Brazilian Amazon. Methods: Metabolites extracted from the plasma of P. vivax-infected patients were subjected to LC-MS analysis. Untargeted metabolomics was applied to investigate the metabolic profile of the plasma in the two groups. Results: Overall, 51 recurrent and 59 non-recurrent patients were included in the study. Longitudinal metabolomic analysis revealed 52 and 37 significant metabolite features from the recurrent and non-recurrent participants, respectively. Recurrence was associated with disturbances in eicosanoid metabolism. Comparison between groups suggest alterations in vitamin B6 (pyridoxine) metabolism, tyrosine metabolism, 3-oxo-10-octadecatrienoate β-oxidation, and alkaloid biosynthesis II. Integrative network analysis revealed enrichment of other metabolic pathways for the recurrent phenotype, including the butanoate metabolism, aspartate and asparagine metabolism, and N-glycan biosynthesis. Conclusion: The metabolites and metabolic pathways predicted in our study suggest potential biomarkers of recurrence and provide insights into targets for antimalarial development against P. vivax.
Institute:	University of Sao Paulo
Last Name:	Gardinassi
First Name:	Luiz Gustavo
Address:	Av. dos Bandeirantes, 3900, Campus Unviversitário, Ribeirão Preto, SP, Brazil
Email:	gardinassi@eerp.usp.br
Phone:	55 16 3315-3395

Subject:

Subject ID:	SU003273
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606
Gender:	Male and female

Factors:

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

mb_sample_id	local_sample_id	Class	Day	Treatment	Sample source
SA341187	ID_22	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341188	ID_295	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341189	ID_298	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341190	ID_82	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341191	ID_40	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341192	ID_179	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341193	ID_300	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341194	ID_25	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341195	ID_224	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341196	ID_61	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341197	ID_216	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341198	ID_212	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341199	ID_250	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341200	ID_164	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341201	ID_95	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341202	ID_278	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341203	ID_110	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341204	ID_318	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341205	ID_5	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341206	ID_118	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341207	ID_112	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341208	ID_266	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341209	ID_103	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341210	ID_230	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341211	ID_145	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341212	ID_138	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341213	ID_130	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341214	ID_151	non-recurrence	0	CQ+PQDHA+PQ422	Plasma
SA341215	ID_47	non-recurrence	0	CQ+PQ	Plasma
SA341216	ID_173	non-recurrence	0	CQ+PQ	Plasma
SA341217	ID_120	non-recurrence	0	CQ+PQ	Plasma
SA341218	ID_106	non-recurrence	0	CQ+PQ	Plasma
SA341219	ID_99	non-recurrence	0	CQ+PQ	Plasma
SA341220	ID_76	non-recurrence	0	CQ+PQ	Plasma
SA341221	ID_56	non-recurrence	0	CQ+PQ	Plasma
SA341222	ID_313	non-recurrence	0	CQ+PQ	Plasma
SA341223	ID_275	non-recurrence	0	CQ+PQ	Plasma
SA341224	ID_281	non-recurrence	0	CQ+PQ	Plasma
SA341225	ID_248	non-recurrence	0	DHA+PQ42	Plasma
SA341226	ID_287	non-recurrence	0	DHA+PQ42	Plasma
SA341227	ID_185	non-recurrence	0	DHA+PQ42	Plasma
SA341228	ID_234	non-recurrence	0	DHA+PQ42	Plasma
SA341229	ID_17	non-recurrence	0	DHA+PQ42	Plasma
SA341230	ID_156	non-recurrence	0	DHA+PQ42	Plasma
SA341231	ID_192	non-recurrence	0	DHA+PQ42	Plasma
SA341232	ID_270	non-recurrence	0	DHA+PQ42	Plasma
SA341233	ID_128	non-recurrence	0	DHA+PQ42	Plasma
SA341234	ID_289	non-recurrence	0	DHA+PQ42	Plasma
SA341235	ID_3	non-recurrence	0	DHA+PQ42	Plasma
SA341236	ID_260	non-recurrence	0	DHA+PQ42	Plasma
SA341237	ID_161	non-recurrence	0	DHA+PQ	Plasma
SA341238	ID_34	non-recurrence	0	DHA+PQ	Plasma
SA341239	ID_301	non-recurrence	0	DHA+PQ	Plasma
SA341240	ID_206	non-recurrence	0	DHA+PQ	Plasma
SA341241	ID_310	non-recurrence	0	DHA+PQ	Plasma
SA341242	ID_123	non-recurrence	0	DHA+PQ	Plasma
SA341243	ID_243	non-recurrence	0	DHA+PQ	Plasma
SA341244	ID_303	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341245	ID_188	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341246	ID_77	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341247	ID_307	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341248	ID_105	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341249	ID_317	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341250	ID_7	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341251	ID_12	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341252	ID_142	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341253	ID_88	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341254	ID_154	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341255	ID_150	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341256	ID_165	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341257	ID_199	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341258	ID_242	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341259	ID_238	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341260	ID_283	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341261	ID_33	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341262	ID_258	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341263	ID_43	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341264	ID_263	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341265	ID_286	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341266	ID_54	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341267	ID_220	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341268	ID_65	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341269	ID_210	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341270	ID_28	non-recurrence	6	CQ+PQDHA+PQ422	Plasma
SA341271	ID_204	non-recurrence	6	CQ+PQ	Plasma
SA341272	ID_207	non-recurrence	6	CQ+PQ	Plasma
SA341273	ID_314	non-recurrence	6	CQ+PQ	Plasma
SA341274	ID_309	non-recurrence	6	CQ+PQ	Plasma
SA341275	ID_9	non-recurrence	6	CQ+PQ	Plasma
SA341276	ID_38	non-recurrence	6	CQ+PQ	Plasma
SA341277	ID_132	non-recurrence	6	CQ+PQ	Plasma
SA341278	ID_229	non-recurrence	6	CQ+PQ	Plasma
SA341279	ID_127	non-recurrence	6	CQ+PQ	Plasma
SA341280	ID_321	non-recurrence	6	CQ+PQ	Plasma
SA341281	ID_71	non-recurrence	6	DHA+PQ42	Plasma
SA341282	ID_195	non-recurrence	6	DHA+PQ42	Plasma
SA341283	ID_268	non-recurrence	6	DHA+PQ42	Plasma
SA341284	ID_280	non-recurrence	6	DHA+PQ42	Plasma
SA341285	ID_62	non-recurrence	6	DHA+PQ42	Plasma
SA341286	ID_172	non-recurrence	6	DHA+PQ42	Plasma

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Collection:

Collection ID:	CO003266
Collection Summary:	Individuals with P. vivax were admitted at the Fundação de Medicina Tropical Dr. Heitor Vieira Dourado (FMT-HVD), a reference center for infectious diseases located in Manaus, Western Brazilian Amazon. At inclusion into the CURAVIVAX study, patient socio-demographic data including sex, age, weight, body-mass index and ethnicity was captured. Laboratory analyses were done at pre-treatment through the treatment days and follow-up including the day of recurrence. Patients of both sexes, aged > 6 months, body weight ≥ 5 kg, with symptomatic P. vivax monoinfection, parasite density between 100 and 100,000 parasites/ µL were included. Exclusion criteria included the use of antimalarials in the last 60 days, mixed Plasmodium infections especially P. falciparum, pregnancy, or lactation and concomitant or underlying diseases. Patients with dengue and other febrile diseases were excluded during screening. After confirmation of malaria vivax by thick blood smears, whole blood and plasma samples were collected, aliquoted and stored at -80OC until needed for analysis. Plasma samples for day of inclusion and before treatment (D0), day six (D6), day ninety (D90) and recurrence day (DR) were used for this study.
Sample Type:	Blood (plasma)
Storage Conditions:	-80℃

Treatment:

Treatment ID:	TR003282
Treatment Summary:	Patients were randomly assigned to one of four treatment groups: Group1- chloroquine (CQ) for 3 days + primaquine (PQ) for 14 days (0.50mg/kg/day) concurrently. Group 2 - dihydroartemisinin/piperaquine (DHA/PPQ) for 3 days + PQ for 14 days (0.50mg/kg/day) concurrently, Group 3 - CQ for 3 days + PQ for 14 days (0.50mg/kg/day) starting on day 42 after the initial CQ, and Group 4 - DHA/PPQ for 3 days + PQ for 14 days (0.50mg/kg/day) starting on day 42 after the initial DHA/PPQ.

Treatment ID:

TR003282

Treatment Summary:

Patients were randomly assigned to one of four treatment groups: Group1- chloroquine (CQ) for 3 days + primaquine (PQ) for 14 days (0.50mg/kg/day) concurrently. Group 2 - dihydroartemisinin/piperaquine (DHA/PPQ) for 3 days + PQ for 14 days (0.50mg/kg/day) concurrently, Group 3 - CQ for 3 days + PQ for 14 days (0.50mg/kg/day) starting on day 42 after the initial CQ, and Group 4 - DHA/PPQ for 3 days + PQ for 14 days (0.50mg/kg/day) starting on day 42 after the initial DHA/PPQ.

Sample Preparation:

Sampleprep ID:	SP003280
Sampleprep Summary:	Metabolites were extracted from 150 µL of sample (plasma EDTA), which was mixed with acetonitrile (2:1, v/v; -5 °C) and centrifuged at 15,000 rpm for 15 min to remove proteins. Stable isotopes caffeine-¹³C3, tyrosine-15N and progesterone-d9 were used as internal standards.

Combined analysis:

Analysis ID	AN005177
Analysis type	MS
Chromatography type	Reversed phase
Chromatography system	Agilent 1220 Infinity
Column	Agilent ZORBAX Eclipse Plus C18 (100 x 4.6mm,3.5um)
MS Type	ESI
MS instrument type	Orbitrap
MS instrument name	Thermo Q Exactive Orbitrap
Ion Mode	POSITIVE
Units	normalized intensity

Chromatography:

Chromatography ID:	CH003916
Chromatography Summary:	The binary mobile phases were water 0.5% formic acid with 5 mM of ammonium formate (A), and acetonitrile (B). Their gradient elution started with 20% (B) for 5 min, then linearly increased to 100% (B) in 30 min and kept constant for 8 min in 100% (B). The eluent was restored to the initial conditions in 4 minutes to re-equilibrate the column and held for the remaining 8 minutes. The flow rate was kept at 0.5 mL min-1. The injection volume for analysis was 3 μL, and the column temperature was set at 35 °C.
Instrument Name:	Agilent 1220 Infinity
Column Name:	Agilent ZORBAX Eclipse Plus C18 (100 x 4.6mm,3.5um)
Column Temperature:	35
Flow Gradient:	gradient elution started with 20% (B) for 5 min, then linearly increased to 100% (B) in 30 min and kept constant for 8 min in 100% (B). The eluent was restored to the initial conditions in 4 minutes to re-equilibrate the column and held for the remaining 8 minutes.
Flow Rate:	0.5 mL/min
Solvent A:	100% water; 0.5% formic acid; 5 mM of ammonium formate
Solvent B:	100% acetonitrile
Chromatography Type:	Reversed phase

MS:

MS ID:	MS004911
Analysis ID:	AN005177
Instrument Name:	Thermo Q Exactive Orbitrap
Instrument Type:	Orbitrap
MS Type:	ESI
MS Comments:	The electrospray ionization was operating with the following settings: spray voltage 3.5 kV; capillary temperature: 269 °C; S-lens RF level 50 V; sheath gas flow rate at 53 L min-1; aux gas flow rate at 14 L min-1; sweep gas flow rate 3 L min-1. The high-resolution mass-spectrometry was obtained under full MS/dd-MS2 mode. The mass range in the full MS scanning experiments was m/z 80-1200. The max IT was set at 200 ms, and AGC target was set at 1 x 106. Resolving power was set at 140,000.
Ion Mode:	POSITIVE