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. 2022 Apr 18;20(5):965–982. doi: 10.2174/1570159X19666210611095320

Table 5.

Metabolites involved in the separation of urine samples from patients with different phenotypes of depression and its treatment outcome.

Samples Involved Phenotypes Metabolites Identified using OPLS-DA or
PLS-DA
Additional Metabolites VIP Metabolites
TNMDD vs. HC TNMDD NPAG, creatine, phosphocholine N-acetylgylcine, N-acetylglutamate,methylmalonate, betaine (OPLS-DA); Imidazole (PLSDA) Creatine, creatinine, 3-methylhistidine, phosphocholine, citrate, hippurate, phenylacetate, glucose, NPAG, (PLS- & OPLS-DA), glycine (OPLS-DA), methylmalonate, betaine (PLS-DA)
HC Alanine, formate, 3-hydroxybutyrate, citrate, trimethylamine, creatinine, glycine, phenylacetate, phosphocholine, glucose, 3-methylhistidine, NPAG, Hippurate N-acetylgylcine, N-acetylglutamate, methylmalonate, betaine (PLS-DA)
TWMDD- 2 weeks after SSRI treatment vs. HC HC Creatinine, glucose, NPAG, 3-methylhistidine, phenylacetate, glycine, phosphocholine, methylmalonate, trimethylamine, alanine, N-acetylglutamate, N-acetylglycine, 3-hydroxybutyrate, citrate Hippurate (OPLS-DA) Creatine, creatinine, 3-methylhistidine, phosphocholine, citrate, betaine, glycine, phenylacetate, glucose, NPAG, N-acetylglutamate, N-acetylglycine, methylmalonate, 3-hydroxybutyrate (PLS- & OPLS-DA), hippurate, imidazole, trimethylamine, alanine, (PLS-DA)
TWMDD-2 weeks after SSRI treatment (Post) Formate, imidazole, NPAG, creatine, betaine Hippurate (PLS-DA)
TNMDD (Pre) vs.
TWMDD-2 weeks after SSRI treatment (Post)
TNMDD (Pre) - - Creatine, creatinine, betaine, NPAG, citrate, phosphocholine, glucose, hippurate, 3-methylhistidine, N-acetylglutamate, phenylacetate, methylmalonate, alanine (OPLS- & PLS-DA), imidazole, N-acetylglycine (PLS-DA)
TWMDD-2 weeks after SSRI treatment (Post) Formate, imidazole, NPAG, Hippurate, phosphocholine, creatinine, creatine, glucose, 3-methylhistidine, alanine, N-acetylglutarate, N-acetylglycine, phenylacetate, phosphocholine, NPAG, glycine, methylmalonate, 3-hydroxybutyrate, glucose Betaine, citrate, 3-hydroxybutyrate, alanine
Responder (r) vs. non- responder Responders (r) Hippurate, phospholine, creatinine, glucose, NPAG, 3-methylhistidine, phenylacetate, glycine, betaine, methylmalonate, trimethylamine, citrate, 3- hydroxybutyrate, N-acetylglutamate N-acetylglycine
(PLS-DA)
Creatinine,creatine, 3-methylhistidine, Hippurate, phosphocholine, Hippurate (PLS- & OPLS-DA);
Citrate, NPAG, betaine, methylmalonate, glucose, phenylacetate, N-acetylglutamate (PLS-DA)
- Non-responders (nr) NPAG, formate, imidazole, creatinine, alanine, creatine Trimethylamine
(OPLS-DA)
-
Adverse effects (se) vs.
No adverse effect (nse)
Adverse effects (se) Phosphocholine, creatine, glucose, glycine, creatinine, trimethylamine, N-acetylglycine, methylmalonate Betaine, citrate, 3-hydroxybutyrate, alanine, hippurate Phosphocholine, 3-methylhistidine, NPAG, betaine, glucose, glycine, citrate (OPLS- & PLS-DA);
Creatine, creatinine(PLS-DA)
No adverse effect (nse) Formate, Imidazole, NPAG, 3-methylhistidine, phosphocholine, phenylacetate Alanine, 3-hudroxybutyrate, citrate, methylmalonate, betaine, creatinine, hippurate.

Abbreviations: TNMDD = treatment naïve major depressive disorder, PLSDA = partial least square-discriminant analysis, OPLSDA = orthogonal partial least square-discriminant analysis, VIP = variable important projections.