Comparison Log
2025-12-15 03:07:42.928706
mwtab Python Library Version: 2.0.0
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN006590/mwtab/...
Study ID:    ST003998
Analysis ID: AN006590
Status:      Inconsistent

mwTab files contain different blocks: "{'FACTORS'}"
Sections "PROJECT" contain missmatched items: {'PROJECT_SUMMARY': ['Sisymbrium officinale (SO), often referred to as "the plant of singers," is a revered traditional Mediterranean medicinal herb known for its applications in treating inflammatory diseases. Despite its historical use, comprehensive metabolomics and in silico studies validating its anti-inflammatory effects remain scarce. The study reported here seeks to uncover and characterize the bioactive compounds within SO, providing a critical step in identifying potential anti-inflammatory agents. To achieve this, we extracted plant compounds using various solvents with differing polarities, i.e., water, methanol, ethanol, acetone, and chloroform. These extractions were followed by phase separation (polar phase and nonpolar phase) of crude extracts. Additionally, we employed GC-MS and LC-MS (polar phase and nonpolar phase) spectroscopy to obtain a preliminary quantification of the diverse functional groups in the SO extracts.We also carried out inflammatory bioassay analysis followed by chemometrics and in silico screening.', 'Sisymbrium officinale (SO), often referred to as the plant of singers, is a revered traditional Mediterranean medicinal herb known for its applications in treating inflammatory diseases. Despite its historical use, comprehensive metabolomics and in silico studies validating its anti-inflammatory effects remain scarce. The study reported here seeks to uncover and characterize the bioactive compounds within SO, providing a critical step in identifying potential anti-inflammatory agents. To achieve this, we extracted plant compounds using various solvents with differing polarities, i.e., water, methanol, ethanol, acetone, and chloroform. These extractions were followed by phase separation (polar phase and nonpolar phase) of crude extracts. Additionally, we employed GC-MS and LC-MS (polar phase and nonpolar phase) spectroscopy to obtain a preliminary quantification of the diverse functional groups in the SO extracts.We also carried out inflammatory bioassay analysis followed by chemometrics and in silico screening.']}
Sections "STUDY" contain missmatched items: {'STUDY_SUMMARY': ['Sisymbrium officinale (SO), often referred to as "the plant of singers," is a revered traditional Mediterranean medicinal herb known for its applications in treating inflammatory diseases. Despite its historical use, comprehensive metabolomics and in silico studies validating its anti-inflammatory effects remain scarce. The study reported here seeks to uncover and characterize the bioactive compounds within SO, providing a critical step in identifying potential anti-inflammatory agents. To achieve this, we extracted plant compounds using various solvents with differing polarities, i.e., water, methanol, ethanol, acetone, and chloroform. These extractions were followed by phase separation (polar phase and nonpolar phase) of crude extracts. Additionally, we employed GC-MS and LC-MS (polar phase and nonpolar phase) spectroscopy to obtain a preliminary quantification of the diverse functional groups in the SO extracts. GC-MS analysis resulted in the identification of SO primary metabolites including sugars (rhamnose, trehalose, fructopyranose, myo-inositol, etc.), amino acids (glycine, lysine, valine, etc.), and fatty acids (linolenic acid, norlinolenic acid, aminovaleric acid, etc.). The LC-MS analysis of both polar and nonpolar fraction resulted in diverse secondary metabolite groups including alkaloids (tetramethylpyrazine, pilocarpine), flavonoids (apigetrin, cynaroside, vitexin 4-O-glucoside, kaempferol, galangin, naringenin, etc.), and plant sterols (zymosterol). The bioassay analysis showed that methanol, ethanol, and acetone possess the highest anti-inflammatory activity through NO suppresion of RAW 264.7 macrophage cells. Further, chemometrics and in silico screening (molecular docking and ADMET) resulted in two flavonoid glycosides, apigetrin and 3-O-α-L-arabinopyranoside, as potential anti-inflammatory compounds that suppress the activity of human inducible NO synthase (iNOS, PDB ID: 3E7G), endothelial NOS (eNOS, PDB ID: 6AV7), and neuronal NOS (nNOS, PDB ID: 6CID). These findings pave the ways for further validation studies including isolation, purification, in vitro, and in vivo analysis.', 'Sisymbrium officinale (SO), often referred to as the plant of singers, is a revered traditional Mediterranean medicinal herb known for its applications in treating inflammatory diseases. Despite its historical use, comprehensive metabolomics and in silico studies validating its anti-inflammatory effects remain scarce. The study reported here seeks to uncover and characterize the bioactive compounds within SO, providing a critical step in identifying potential anti-inflammatory agents. To achieve this, we extracted plant compounds using various solvents with differing polarities, i.e., water, methanol, ethanol, acetone, and chloroform. These extractions were followed by phase separation (polar phase and nonpolar phase) of crude extracts. Additionally, we employed GC-MS and LC-MS (polar phase and nonpolar phase) spectroscopy to obtain a preliminary quantification of the diverse functional groups in the SO extracts. GC-MS analysis resulted in the identification of SO primary metabolites including sugars (rhamnose, trehalose, fructopyranose, myo-inositol, etc.), amino acids (glycine, lysine, valine, etc.), and fatty acids (linolenic acid, norlinolenic acid, aminovaleric acid, etc.). The LC-MS analysis of both polar and nonpolar fraction resulted in diverse secondary metabolite groups including alkaloids (tetramethylpyrazine, pilocarpine), flavonoids (apigetrin, cynaroside, vitexin 4-O-glucoside, kaempferol, galangin, naringenin, etc.), and plant sterols (zymosterol). The bioassay analysis showed that methanol, ethanol, and acetone possess the highest anti-inflammatory activity through NO suppresion of RAW 264.7 macrophage cells. Further, chemometrics and in silico screening (molecular docking and ADMET) resulted in two flavonoid glycosides, apigetrin and 3-O-α-L-arabinopyranoside, as potential anti-inflammatory compounds that suppress the activity of human inducible NO synthase (iNOS, PDB ID: 3E7G), endothelial NOS (eNOS, PDB ID: 6AV7), and neuronal NOS (nNOS, PDB ID: 6CID). These findings pave the ways for further validation studies including isolation, purification, in vitro, and in vivo analysis.']}
'Metabolites' section of 'MS_METABOLITE_DATA' block do not match.
'Data' section of 'MS_METABOLITE_DATA' block do not match.