Summary of Study ST004263

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 PR002690. The data can be accessed directly via it's Project DOI: 10.21228/M8Z24S 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 IDST004263
Study TitleMetabolomics analysis of effects of NSAID administration on human volunteers
Study Summarymetabolomic response to naproxen and celecoxib was evaluated as a secondary analysis of a double-blind, randomized, crossover study in healthy volunteers (N=16; 9 men, 7 women). The trial design is shown in doi: https://doi.org/10.1101/2024.11.26.625478(Fig. 1A). Subjects received celecoxib (100 mg bid), naproxen (250 mg bid), or placebo (bid) for 7 days, then returned to the clinical research unit for a 12-hour visit for pharmacokinetic-pharmacodynamic sampling. There was a washout period of at least 14 days between each study phase. The participants were asked to abstain from analgesics until study completion. All the experiments were performed in a blinded manner by the analyst. The study protocol was approved by the University of Pennsylvania Institutional Review Board (IRB#820715; ClinicalTrials.gov: NCT02502006). Mass spectrometry analysis was performed using Waters QQQ mass spectrometer equipped with Acquity H-class LC fitted with a BEH-amide column. Data was colelcted using MRM transitions. Data analysis showed significant impact of naproxen treatment on the tryptophan related metabolites, suggesting naproxen alters tryptophan metabolism of the subjects.
Institute
University of Pennsylvania
Last NameSengupta
First NameArjun
Address3400 Civic Center Boulevard, Philadelphia, PA 19104
Emailarjunsen@pennmedicine.upenn.edu
Phone2158982220
Submit Date2025-09-19
Num Groups3
Total Subjects16
Num Males9
Num Females7
Study CommentsThe study is randomized cross over study where each subject underwent three timepoints of drug/placebo administration.
Publications10.1101/2024.11.26.625478
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2025-10-28
Release Version1
Arjun Sengupta Arjun Sengupta
https://dx.doi.org/10.21228/M8Z24S
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR002690
Project DOI:doi: 10.21228/M8Z24S
Project Title:Metabolomics analysis of effects of NSAID administration
Project Summary:Non-steroidal anti-inflammatory drugs are popular choices for the mitigation of pain and inflammation; however, they are accompanied by adverse effects in the gastrointestinal and cardiovascular systems. Identifying biomarkers and mechanisms for early gastrointestinal or cardiovascular disease detection is desirable.This project compares the effects of naproxen and celecoxib on the metabolome of volunteers and shows an effect on tryptophan metabolism.
Institute:University of Pennsylvania
Last Name:Sengupta
First Name:Arjun
Address:3400 Civic Center Boulevard, Philadelphia, PA 19104, USA
Email:arjunsen@pennmedicine.upenn.edu
Phone:2158982220

Subject:

Subject ID:SU004416
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Genotype Strain:Not applicable
Age Or Age Range:19 - 61 years
Weight Or Weight Range:non obese
Gender:Male and female
Human Exclusion Criteria:Participants were excluded if they were pregnant or nursing a child, smoked or used nicotine-containing products, were obese (body mass index (BMI) > 30 kg/m2), had a history of significant cardiovascular, gastrointestinal, renal, hepatic, respiratory, immune, endocrine, hematologic, or neurological disease, a history of cancer within the last 5 years, or a coagulation or bleeding disorder, were sensitive or allergic to celecoxib, naproxen, aspirin, or other NSAIDs, or had used NSAIDs (including acetaminophen), dietary or herbal supplements containing salicylates, Vitamin E, fish oil, or any other herbal supplements, within 14 days of study drug administration.

Factors:

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

mb_sample_id local_sample_id Treatment Day Injection order Timepoint Sample source
SA497059Soumita-NSAID-runs-12302018-131-91Celecoxib Day1 107 NA Blood
SA497060Soumita-NSAID-runs-12302018-139-98Celecoxib Day1 115 NA Blood
SA497061Soumita-NSAID-runs-12302018-035-8Celecoxib Day1 11 NA Blood
SA497062Soumita-NSAID-runs-12302018-154-1Celecoxib Day1 130 NA Blood
SA497063Soumita-NSAID-runs-12302018-162-8Celecoxib Day1 138 NA Blood
SA497064Soumita-NSAID-runs-12302018-170-15Celecoxib Day1 146 NA Blood
SA497065Soumita-NSAID-runs-12302018-192-112Celecoxib Day1 168 NA Blood
SA497066Soumita-NSAID-runs-12302018-194-35Celecoxib Day1 170 NA Blood
SA497067Soumita-NSAID-runs-12302018-218-56Celecoxib Day1 194 NA Blood
SA497068Soumita-NSAID-runs-12302018-043-15Celecoxib Day1 19 NA Blood
SA497069Soumita-NSAID-runs-12302018-242-77Celecoxib Day1 218 NA Blood
SA497070Soumita-NSAID-runs-12302018-250-84Celecoxib Day1 226 NA Blood
SA497071Soumita-NSAID-runs-12302018-258-91Celecoxib Day1 234 NA Blood
SA497072Soumita-NSAID-runs-12302018-266-98Celecoxib Day1 242 NA Blood
SA497073Soumita-NSAID-runs-12302018-027-1Celecoxib Day1 3 NA Blood
SA497074Soumita-NSAID-runs-12302018-065-112Celecoxib Day1 41 NA Blood
SA497075Soumita-NSAID-runs-12302018-067-35Celecoxib Day1 43 NA Blood
SA497076Soumita-NSAID-runs-12302018-091-56Celecoxib Day1 67 NA Blood
SA497077Soumita-NSAID-runs-12302018-115-77Celecoxib Day1 91 NA Blood
SA497078Soumita-NSAID-runs-12302018-123-84Celecoxib Day1 99 NA Blood
SA497079Soumita-NSAID-runs-12302018-126-87Celecoxib Day7 102 T0 Blood
SA497080Soumita-NSAID-runs-12302018-129-90Celecoxib Day7 105 T4 Blood
SA497081Soumita-NSAID-runs-12302018-132-92Celecoxib Day7 108 T0 Blood
SA497082Soumita-NSAID-runs-12302018-135-95Celecoxib Day7 111 T4 Blood
SA497083Soumita-NSAID-runs-12302018-140-99Celecoxib Day7 116 T0 Blood
SA497084Soumita-NSAID-runs-12302018-143-103Celecoxib Day7 119 T4 Blood
SA497085Soumita-NSAID-runs-12302018-150-109Celecoxib Day7 126 T4 Blood
SA497086Soumita-NSAID-runs-12302018-151-110Celecoxib Day7 127 T0 Blood
SA497087Soumita-NSAID-runs-12302018-157-4Celecoxib Day7 133 T0 Blood
SA497088Soumita-NSAID-runs-12302018-160-7Celecoxib Day7 136 T4 Blood
SA497089Soumita-NSAID-runs-12302018-165-11Celecoxib Day7 141 T0 Blood
SA497090Soumita-NSAID-runs-12302018-168-14Celecoxib Day7 144 T4 Blood
SA497091Soumita-NSAID-runs-12302018-173-18Celecoxib Day7 149 T0 Blood
SA497092Soumita-NSAID-runs-12302018-038-11Celecoxib Day7 14 T0 Blood
SA497093Soumita-NSAID-runs-12302018-176-21Celecoxib Day7 152 T4 Blood
SA497094Soumita-NSAID-runs-12302018-181-25Celecoxib Day7 157 T0 Blood
SA497095Soumita-NSAID-runs-12302018-182-26Celecoxib Day7 158 T4 Blood
SA497096Soumita-NSAID-runs-12302018-186-29Celecoxib Day7 162 T0 Blood
SA497097Soumita-NSAID-runs-12302018-191-34Celecoxib Day7 167 T4 Blood
SA497098Soumita-NSAID-runs-12302018-195-36Celecoxib Day7 171 T0 Blood
SA497099Soumita-NSAID-runs-12302018-199-40Celecoxib Day7 175 T4 Blood
SA497100Soumita-NSAID-runs-12302018-203-43Celecoxib Day7 179 T0 Blood
SA497101Soumita-NSAID-runs-12302018-041-14Celecoxib Day7 17 T4 Blood
SA497102Soumita-NSAID-runs-12302018-206-46Celecoxib Day7 182 T4 Blood
SA497103Soumita-NSAID-runs-12302018-212-51Celecoxib Day7 188 T0 Blood
SA497104Soumita-NSAID-runs-12302018-215-54Celecoxib Day7 191 T4 Blood
SA497105Soumita-NSAID-runs-12302018-221-59Celecoxib Day7 197 T0 Blood
SA497106Soumita-NSAID-runs-12302018-224-62Celecoxib Day7 200 T4 Blood
SA497107Soumita-NSAID-runs-12302018-228-65Celecoxib Day7 204 T0 Blood
SA497108Soumita-NSAID-runs-12302018-231-68Celecoxib Day7 207 T4 Blood
SA497109Soumita-NSAID-runs-12302018-235-71Celecoxib Day7 211 T0 Blood
SA497110Soumita-NSAID-runs-12302018-238-74Celecoxib Day7 214 T4 Blood
SA497111Soumita-NSAID-runs-12302018-244-79Celecoxib Day7 220 T0 Blood
SA497112Soumita-NSAID-runs-12302018-247-82Celecoxib Day7 223 T4 Blood
SA497113Soumita-NSAID-runs-12302018-253-87Celecoxib Day7 229 T0 Blood
SA497114Soumita-NSAID-runs-12302018-046-18Celecoxib Day7 22 T0 Blood
SA497115Soumita-NSAID-runs-12302018-256-90Celecoxib Day7 232 T4 Blood
SA497116Soumita-NSAID-runs-12302018-259-92Celecoxib Day7 235 T0 Blood
SA497117Soumita-NSAID-runs-12302018-262-95Celecoxib Day7 238 T4 Blood
SA497118Soumita-NSAID-runs-12302018-267-99Celecoxib Day7 243 T0 Blood
SA497119Soumita-NSAID-runs-12302018-270-103Celecoxib Day7 246 T4 Blood
SA497120Soumita-NSAID-runs-12302018-277-109Celecoxib Day7 253 T4 Blood
SA497121Soumita-NSAID-runs-12302018-278-110Celecoxib Day7 254 T0 Blood
SA497122Soumita-NSAID-runs-12302018-049-21Celecoxib Day7 25 T4 Blood
SA497123Soumita-NSAID-runs-12302018-054-25Celecoxib Day7 30 T0 Blood
SA497124Soumita-NSAID-runs-12302018-055-26Celecoxib Day7 31 T4 Blood
SA497125Soumita-NSAID-runs-12302018-059-29Celecoxib Day7 35 T0 Blood
SA497126Soumita-NSAID-runs-12302018-064-34Celecoxib Day7 40 T4 Blood
SA497127Soumita-NSAID-runs-12302018-068-36Celecoxib Day7 44 T0 Blood
SA497128Soumita-NSAID-runs-12302018-072-40Celecoxib Day7 48 T4 Blood
SA497129Soumita-NSAID-runs-12302018-076-43Celecoxib Day7 52 T0 Blood
SA497130Soumita-NSAID-runs-12302018-079-46Celecoxib Day7 55 T4 Blood
SA497131Soumita-NSAID-runs-12302018-085-51Celecoxib Day7 61 T0 Blood
SA497132Soumita-NSAID-runs-12302018-088-54Celecoxib Day7 64 T4 Blood
SA497133Soumita-NSAID-runs-12302018-030-4Celecoxib Day7 6 T0 Blood
SA497134Soumita-NSAID-runs-12302018-094-59Celecoxib Day7 70 T0 Blood
SA497135Soumita-NSAID-runs-12302018-097-62Celecoxib Day7 73 T4 Blood
SA497136Soumita-NSAID-runs-12302018-101-65Celecoxib Day7 77 T0 Blood
SA497137Soumita-NSAID-runs-12302018-104-68Celecoxib Day7 80 T4 Blood
SA497138Soumita-NSAID-runs-12302018-108-71Celecoxib Day7 84 T0 Blood
SA497139Soumita-NSAID-runs-12302018-111-74Celecoxib Day7 87 T4 Blood
SA497140Soumita-NSAID-runs-12302018-117-79Celecoxib Day7 93 T0 Blood
SA497141Soumita-NSAID-runs-12302018-120-82Celecoxib Day7 96 T4 Blood
SA497142Soumita-NSAID-runs-12302018-033-7Celecoxib Day7 9 T4 Blood
SA497024Soumita-NSAID-runs-12302018-130-QC15- - 106 - Blood
SA497025Soumita-NSAID-runs-12302018-034-QC3- - 10 - Blood
SA497026Soumita-NSAID-runs-12302018-138-QC16- - 114 - Blood
SA497027Soumita-NSAID-runs-12302018-146-QC17- - 122 - Blood
SA497028Soumita-NSAID-runs-12302018-153-QC18- - 129 - Blood
SA497029Soumita-NSAID-runs-12302018-161-QC19- - 137 - Blood
SA497030Soumita-NSAID-runs-12302018-169-QC20- - 145 - Blood
SA497031Soumita-NSAID-runs-12302018-177-QC21- - 153 - Blood
SA497032Soumita-NSAID-runs-12302018-185-QC22- - 161 - Blood
SA497033Soumita-NSAID-runs-12302018-193-QC23- - 169 - Blood
SA497034Soumita-NSAID-runs-12302018-201-QC24- - 177 - Blood
SA497035Soumita-NSAID-runs-12302018-209-QC25- - 185 - Blood
SA497036Soumita-NSAID-runs-12302018-042-QC4- - 18 - Blood
SA497037Soumita-NSAID-runs-12302018-217-QC26- - 193 - Blood
SA497038Soumita-NSAID-runs-12302018-025-QC1- - 1 - Blood
SA497039Soumita-NSAID-runs-12302018-225-QC27- - 201 - Blood
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Collection:

Collection ID:CO004409
Collection Summary:Blood was collected in a heparinized tube, then centrifuged at 3000 RPM for 15 mins to isolate plasma. Plasma was stored at -80 degree C for further analysis.
Sample Type:Blood (plasma)

Treatment:

Treatment ID:TR004425
Treatment Summary:Subjects were recruited in a double blinded, randomized, crossover study. Subjects were treated with celecoxib, naproxen and placebo. Healthy volunteers (N=15; 9 men, 6 women) were treated with naproxen (250 mg bid), celecoxib (100 mg bid), and placebo for seven days in a double-blind, randomized, three-way cross-over design (https://clinicaltrials.gov/study/NCT02502006)9. There was a washout period of at least 14 days in between the arms. The participants were asked to abstain from analgesics until study completion. All the experiments were performed in a blinded manner by the analyst. Plasma samples taken at T0 (T=0h after 7 days of dosing) and T4 (T=4h after 7 days of dosing) were subjected to metabolomics analysis. The time points represent the crest and the trough of the pharmacological activity of the drugs. The time points represent the crest and the trough of the pharmacological activity of the drugs.

Sample Preparation:

Sampleprep ID:SP004422
Sampleprep Summary:Plasma samples were processed using modified Bligh Dyer method using methanol, chloroform and water (2:2:1). The smaples were vortexed and centrifuged. The upper fraction was collected, dried in a vacuum concentrator. The dried fractions were reconstituted in 1:1 acetonitrile water for mass spectrometric analysis.

Combined analysis:

Analysis ID AN007094 AN007095
Chromatography ID CH005389 CH005389
MS ID MS006791 MS006792
Analysis type MS MS
Chromatography type HILIC HILIC
Chromatography system Waters Acquity H-Class Waters Acquity H-Class
Column Waters XBridge BEH Amide (100 x 2.1mm,2.5um) Waters XBridge BEH Amide (100 x 2.1mm,2.5um)
MS Type ESI ESI
MS instrument type Triple quadrupole Triple quadrupole
MS instrument name Waters Xevo-TQ-S Waters Xevo-TQ-S
Ion Mode POSITIVE NEGATIVE
Units Normalized arbitrary unit Normalized arbitrary unit

Chromatography:

Chromatography ID:CH005389
Instrument Name:Waters Acquity H-Class
Column Name:Waters XBridge BEH Amide (100 x 2.1mm,2.5um)
Column Temperature:40
Flow Gradient:15:85 A:B, ramped to 70%A for 10 min of isocratic hold. The column was washed with 98%A and re-equilibrated in starting conditions for 5 min following each injection.
Flow Rate:0.15 ml/min
Solvent A:95% water/5% acetonitrile; 20mm ammonium acetate (ph 9)
Solvent B:100% Acetonitrile
Chromatography Type:HILIC

MS:

MS ID:MS006791
Analysis ID:AN007094
Instrument Name:Waters Xevo-TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:Acquired in MRM mode using polarity switching followed by processing in Targetlynx and instrumental drift correction in R script.
Ion Mode:POSITIVE
  
MS ID:MS006792
Analysis ID:AN007095
Instrument Name:Waters Xevo-TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:Acquired in MRM mode using polarity switching followed by processing in Targetlynx and instrumental drift correction in R script.
Ion Mode:NEGATIVE
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