Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking
Orthosiphon aristatus (called kumis kucing in Indonesia) is a valuable herb for diabetes mellitus treatment. In this study, LC-MS/MS and PCA analyses were used to investigate the metabolite profile, classify O. aristatus extracts, and assess the inhibitory activity of a-glucosidase and the probable...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Department of Chemistry, Universitas Gadjah Mada
2022-03-01
|
| Series: | Indonesian Journal of Chemistry |
| Subjects: | |
| Online Access: | https://jurnal.ugm.ac.id/ijc/article/view/71334 |
| _version_ | 1811300041860579328 |
|---|---|
| author | Faizal Maulana Alfari Andiqa Muhammad Ali Umar Fachrur Rizal Mahendra Muhammad Musthofa Waras Nurcholis |
| author_facet | Faizal Maulana Alfari Andiqa Muhammad Ali Umar Fachrur Rizal Mahendra Muhammad Musthofa Waras Nurcholis |
| author_sort | Faizal Maulana |
| collection | DOAJ |
| description | Orthosiphon aristatus (called kumis kucing in Indonesia) is a valuable herb for diabetes mellitus treatment. In this study, LC-MS/MS and PCA analyses were used to investigate the metabolite profile, classify O. aristatus extracts, and assess the inhibitory activity of a-glucosidase and the probable bioactive compounds through in silico study. Results showed that the methanol and ethanol extracts of O. aristatus were active in α-glucosidase inhibitory activity. Both extracts contained 86 compounds as known from the LC-MS/MS analysis. PCA analysis identified 10 metabolites that correlated with α-glucosidase inhibitory activity. Results of in silico analysis obtained rosmarinic acid compound potentially act as anti-diabetic activity, which can be developed for further research. |
| first_indexed | 2024-04-13T06:45:24Z |
| format | Article |
| id | doaj.art-0fc1adc544ee450a8cf5184007cd22c7 |
| institution | Directory Open Access Journal |
| issn | 1411-9420 2460-1578 |
| language | English |
| last_indexed | 2024-04-13T06:45:24Z |
| publishDate | 2022-03-01 |
| publisher | Department of Chemistry, Universitas Gadjah Mada |
| record_format | Article |
| series | Indonesian Journal of Chemistry |
| spelling | doaj.art-0fc1adc544ee450a8cf5184007cd22c72022-12-22T02:57:35ZengDepartment of Chemistry, Universitas Gadjah MadaIndonesian Journal of Chemistry1411-94202460-15782022-03-0122250151410.22146/ijc.7133431510Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular DockingFaizal Maulana0Alfari Andiqa Muhammad1Ali Umar2Fachrur Rizal Mahendra3Muhammad Musthofa4Waras Nurcholis5Department of Chemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, IndonesiaDepartment of Biochemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, IndonesiaDepartment of Chemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, IndonesiaDepartment of Biochemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, IndonesiaDepartment of Biochemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, IndonesiaDepartment of Biochemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia Tropical Biopharmaca Research Center, IPB University, Jl. Taman Kencana Kampus IPB Taman Kencana, Bogor 16128, IndonesiaOrthosiphon aristatus (called kumis kucing in Indonesia) is a valuable herb for diabetes mellitus treatment. In this study, LC-MS/MS and PCA analyses were used to investigate the metabolite profile, classify O. aristatus extracts, and assess the inhibitory activity of a-glucosidase and the probable bioactive compounds through in silico study. Results showed that the methanol and ethanol extracts of O. aristatus were active in α-glucosidase inhibitory activity. Both extracts contained 86 compounds as known from the LC-MS/MS analysis. PCA analysis identified 10 metabolites that correlated with α-glucosidase inhibitory activity. Results of in silico analysis obtained rosmarinic acid compound potentially act as anti-diabetic activity, which can be developed for further research.https://jurnal.ugm.ac.id/ijc/article/view/71334diabeticin silicoorthosiphon aristatusmetabolomicspca |
| spellingShingle | Faizal Maulana Alfari Andiqa Muhammad Ali Umar Fachrur Rizal Mahendra Muhammad Musthofa Waras Nurcholis Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking Indonesian Journal of Chemistry diabetic in silico orthosiphon aristatus metabolomics pca |
| title | Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking |
| title_full | Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking |
| title_fullStr | Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking |
| title_full_unstemmed | Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking |
| title_short | Profiling Metabolites through Chemometric Analysis in <i>Orthosiphon aristatus</i> Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking |
| title_sort | profiling metabolites through chemometric analysis in i orthosiphon aristatus i extracts as α glucosidase inhibitory activity and in silico molecular docking |
| topic | diabetic in silico orthosiphon aristatus metabolomics pca |
| url | https://jurnal.ugm.ac.id/ijc/article/view/71334 |
| work_keys_str_mv | AT faizalmaulana profilingmetabolitesthroughchemometricanalysisiniorthosiphonaristatusiextractsasaglucosidaseinhibitoryactivityandinsilicomoleculardocking AT alfariandiqamuhammad profilingmetabolitesthroughchemometricanalysisiniorthosiphonaristatusiextractsasaglucosidaseinhibitoryactivityandinsilicomoleculardocking AT aliumar profilingmetabolitesthroughchemometricanalysisiniorthosiphonaristatusiextractsasaglucosidaseinhibitoryactivityandinsilicomoleculardocking AT fachrurrizalmahendra profilingmetabolitesthroughchemometricanalysisiniorthosiphonaristatusiextractsasaglucosidaseinhibitoryactivityandinsilicomoleculardocking AT muhammadmusthofa profilingmetabolitesthroughchemometricanalysisiniorthosiphonaristatusiextractsasaglucosidaseinhibitoryactivityandinsilicomoleculardocking AT warasnurcholis profilingmetabolitesthroughchemometricanalysisiniorthosiphonaristatusiextractsasaglucosidaseinhibitoryactivityandinsilicomoleculardocking |