Profiling Metabolites through Chemometric Analysis in Orthosiphon aristatus Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking

Faizal Maulana(1), Alfari Andiqa Muhammad(2), Ali Umar(3), Fachrur Rizal Mahendra(4), Muhammad Musthofa(5), Waras Nurcholis(6*)

(1) Department of Chemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
(2) Department of Biochemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
(3) Department of Chemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
(4) Department of Biochemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
(5) Department of Biochemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
(6) Department 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, Indonesia
(*) Corresponding Author


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.


diabetic; in silico; Orthosiphon aristatus; metabolomics; PCA

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