MetaboLights

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_pos_113.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645/FILES/RAW_FILES/SSRI_pos_164.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645/FILES/RAW_FILES/SSRI_pos_024.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645/FILES/RAW_FILES/SSRI_pos_032.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645/FILES/RAW_FILES/SSRI_pos_199.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645/FILES/RAW_FILES/SSRI_pos_210.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645/FILES/RAW_FILES/SSRI_pos_067.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645/FILES/RAW_FILES/SSRI_pos_121.rawprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12645One-point quantification of metabolite concentrations in the sample was calculated using the intensity ratio of endogenous metabolite to the internal standard and multiplied with the concentration of the internal standard (Marques et al., 2022).MetaboLightsPublicDirect infusion MS - positiveUntargeted metabolomic profiling was performed using the direct infusion probe (DIP) for ESI-MS (Marques et al., 2022). Please refer to the cited publication for further information about the methodology.Lysophosphatidylcholines are elevated after selective serotonin reuptake inhibitor exposure during neural differentiation and correlate with early neurodevelopmental symptoms. 10.1101/2025.05.30.25328657.Abishek AroraKarolinska InstitutetiPSC derived cell lineblankmass spectrometry assayThe cell culture plates were stored at -80 °C prior to lysing with the electrospray solvent containing 9:1 methanol:water, with 0.1% formic acid and 28 internal standards. To enable comparisons, all cell samples were normalised to total cell counts per sample.blankHomo sapiensThe resulting data was extracted using 30 s data per sample and sorted in MZmine 2 (Pluskal et al., 2010).Cell lineDifferentiation timeSexExposureConcentrationabishek.arora@ki.sehttps://www.ebi.ac.uk/metabolights/MTBLS12645Untargeted metabolomic profiling was performed using the direct infusion probe (DIP) for ESI-MS (Marques et al., 2022) on snap-frozen cells at day 5 (N=120) and day 28 (N=120) of SSRI exposures during neural differentiation of NES cells, with 2 biological replicates having 3 technical replicates each for the treated and untreated groups in all 4 cell lines: CTRLMale, CTRLFemale, ASDHNRNPU and ASDCASK. For the day 5 samples, the cells were exposed to 3.0 µM of fluoxetine hydrochloride (FH), citalopram hydrobromide (CH) and paroxetine hydrochloride (PH), and 1.5 µM of sertraline hydrochloride (SH), as per the previously determined concentrations based on the cytotoxicity assays. For the day 28 samples, the cells were exposed to a standardised dose of 1.5 µM to enable direct comparison of long-term exposure related metabolomic effects induced by each SSRI.MetabolomicsParoxetinestem cellFluoxetineuntargeted metabolitesSertralineCitalopramParoxetinestem cellFluoxetineuntargeted metabolitesSertralineCitalopramThe samples were analysed on a QExactive Orbitrap instrument (Thermo Scientific) at mass resolving power of 140,000 (m/∆m) using untargeted full scanning between 70 and 1000 Da in positive mode.FA 22:0PE 42:9FA 22:4FA 22:3PE 42:5PE 46:1PE 42:6PE 42:7PE 46:3PE 42:8GlucosePE 42:4PC e 40:5PC e 40:4HistidinePE 30:1LPC 18:2PE 38:5LPC 14:0PE 38:4PE 38:3PE 38:2ThreonineLPC 18:0LPC 18:1PE 38:7PE 38:6MethioninePE 34:1PC 28:0PE 34:0PC 28:1PC e 40:7PE 34:5PE 38:1PC e 40:6PE 34:4PC e 40:9PE 34:3PC e 40:8PE 34:2PC e 32:0PC e 32:2PC e 32:1LysinePC 30:2PC 30:3PC 30:0PC 30:1PC e 38:6PC 34:2PC e 38:5PC 34:3PC e 38:8PC 34:0PC e 38:7PC 34:1PC 38:2C16 CarnitinePC e 34:5PC 38:3PE 42:11PC e 38:4PC 34:4PC e 38:3PC 38:1PC 34:5PC e 34:2PC 38:6GlycinePC e 34:1PC 38:7PC e 34:4PC 38:4PC e 34:3PC 38:5PC e 40:10ArginineC4 CarnitineFA 18:1FA 18:0FA 18:3FA 18:2AlanineFA 10:0PhenylalaninePC 42:5PC 42:6PC 42:4FA 14:0TryptophanPC 42:9PC 42:7PC 42:8PC e 26:0Leucine/IsoleucinePE 40:2ValineFA 22:6AsparagineFA 22:5FA 20:0C2 CarnitineFA 20:2FA 20:1PE 44:7FA 20:4PE 44:8FA 20:3PE 44:9FA 20:5PE 40:7PE 40:8PE 40:9Aspartic AcidPE 40:3PE 40:4PE 40:5PE 40:6PE 44:10PC e 42:10TyrosinePE 36:6PE 36:5PE 36:4PC 26:0LPC 16:0LPC 16:1PE 32:2PE 32:1PE 32:0PE 36:3PC e 46:0PE 36:2PE 36:1PC e 42:6PE 36:0CarnitineGlutamic AcidPC e 30:1PC e 34:0PC e 30:0GABAC3 CarnitinePC 32:0PC 32:1LPC 20:3PC 44:10LPC 20:4PC 32:4PC e 36:7PC 36:1SerinePC 32:2PC 32:3ProlinePC e 36:4PC 36:4PC e 36:3PC 36:5PC e 36:6PC 36:2PC e 36:5PC 36:3LPC 20:1LPC 20:2PC e 36:2PC 36:6PC e 36:1PC 36:7FA 16:1FA 16:0PC 40:3PC 40:4PC 40:2PC 40:7PC 40:8FA 12:0PC 40:5PC 44:1PC 40:6PC e 28:0PC 44:7PC 44:8PC 44:6PC 44:9C18:1 CarnitineC5 CarnitineGlutaminefalseElevated lysophosphatidylcholines during SSRI-induced neural differentiation correlate with early neurodevelopmental symptomsBackground: Selective serotonin reuptake inhibitors (SSRIs) are often prescribed during pregnancy. Yet, epidemiological studies link in-utero SSRI exposure with neurodevelopmental disorders, such as autism and ADHD. The potential molecular mechanisms by which SSRIs impact early neurodevelopment are not fully understood. Methods: We exposed neuroepithelial stem cells derived from four human induced pluripotent stem cells lines to fluoxetine, citalopram, sertraline, and paroxetine. We then assessed cellular viability, reactive oxygen species (ROS) levels, mitochondrial function using adenosine triphosphate (ATP) assays, and performed high-throughput metabolomics at two timepoints: proliferation and neural differentiation stages. The key metabolic findings were validated in the in-vitro model and in a complementary population-based cohort, the Barwon Infant Study, consisting of 1074 mother-child pairs with analysed cord-blood metabolomes. Findings: Sertraline and paroxetine significantly decreased ROS and ATP levels, indicating mitochondrial alteration. Metabolomic profiling revealed consistent elevation of three lysophosphatidylcholines (LPCs 16:0, 18:0, 18:1) across all SSRIs except citalopram. We further observed elevated LPC levels in the cord blood of infants prenatally exposed to SSRIs, with a dose-dependent correlation to autism and ADHD-related symptoms at age two. Furthermore, the three LPCs modulated ROS and ATP levels in the neural cells. Interpretation: These findings provide insights into SSRI-induced molecular changes, highlight candidate metabolites that may warrant further investigation as indicators of SSRI exposure, and emphasise the need for exploring prenatal SSRI exposure effects and neurodevelopmental outcomes.2026-04-022025-06-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:16934CHEBI:16467CHEBI:3146CHEBI:74653CHEBI:73067CHEBI:91318CHEBI:57589CHEBI:28867CHEBI:7676CHEBI:86050CHEBI:17409CHEBI:30805CHEBI:28875CHEBI:37251CHEBI:28716CHEBI:28842CHEBI:16196CHEBI:17351CHEBI:27432CHEBI:28822CHEBI:28941CHEBI:144355CHEBI:183405CHEBI:15843CHEBI:84883CHEBI:76322CHEBI:77807CHEBI:61204CHEBI:36005CHEBI:16865CHEBI:16747CHEBI:16440CHEBI:137927CHEBI:15428CHEBI:16029CHEBI:28282CHEBI:64483CHEBI:64563CHEBI:64560CHEBI:64561CHEBI:64566CHEBI:64549CHEBI:67057CHEBI:67056CHEBI:64481CHEBI:64568CHEBI:18019CHEBI:16811CHEBI:72423CHEBI:65294CHEBI:65293CHEBI:65303CHEBI:65302CHEBI:65301CHEBI:65300CHEBI:66850CHEBI:66849CHEBI:66848CHEBI:66847CHEBI:66846CHEBI:66855CHEBI:64517CHEBI:64516CHEBI:64424CHEBI:64423CHEBI:66854CHEBI:66857CHEBI:64433CHEBI:64523CHEBI:64520CHEBI:64504CHEBI:66856CHEBI:142367CHEBI:66860CHEBI:66859CHEBI:64446CHEBI:64526CHEBI:64525CHEBI:64519CHEBI:64498CHEBI:66864CHEBI:66863CHEBI:66862CHEBI:64524CHEBI:64431CHEBI:64521CHEBI:85851CHEBI:66967CHEBI:66966CHEBI:66965CHEBI:131440CHEBI:85770CHEBI:136099CHEBI:66978CHEBI:136111CHEBI:66973CHEBI:137618CHEBI:145315CHEBI:137127CHEBI:85691CHEBI:136236CHEBI:85700CHEBI:85706CHEBI:132579CHEBI:132580CHEBI:134241CHEBI:85850CHEBI:85769CHEBI:72428CHEBI:71705CHEBI:134486CHEBI:71712CHEBI:71713CHEBI:71718CHEBI:155834CHEBI:71721CHEBI:71722CHEBI:71723CHEBI:71724CHEBI:134435CHEBI:134451CHEBI:141588CHEBI:141589CHEBI:134271CHEBI:234241CHEBI:71732CHEBI:71734CHEBI:136382CHEBI:141590CHEBI:134270CHEBI:134239CHEBI:134428CHEBI:134443CHEBI:71742CHEBI:71743CHEBI:71744CHEBI:134243CHEBI:134429CHEBI:91055CHEBI:134450CHEBI:132600CHEBI:71751CHEBI:145747CHEBI:71753CHEBI:132601CHEBI:134445CHEBI:16038CHEBI:145855CHEBI:72354CHEBI:17295CHEBI:17203CHEBI:17115CHEBI:16857CHEBI:16828CHEBI:17895CHEBI:16414