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

被引：1
|
作者：
Maulana, Faizal [1 ]
Muhammad, Alfari Andiqa [2 ]
Umar, Ali [1 ]
Mahendra, Fachrur Rizal [2 ]
Musthofa, Muhammad [2 ]
Nurcholis, Waras [2 ,3 ]
机构：
[1] IPB Univ, Fac Math & Nat Sci, Dept Chem, Jl Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
[2] IPB Univ, Fac Math & Nat Sci, Dept Biochem, Jl Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
[3] IPB Univ, Trop Biopharmaca Res Ctr, Jl Taman Kencana Kampus IPB Taman Kencana, Bogor 16128, Indonesia
来源：
INDONESIAN JOURNAL OF CHEMISTRY | 2022年 / 22卷 / 02期
关键词：
diabetic; in silico; Orthosiphon aristatus; rnetabolornics; PCA; ROSMARINIC ACID; RULE;
D O I：
10.22146/ijc.71334
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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 aglucosidase inhibitory activity. Both extracts contained 86 compounds as known from the LC-MS/MS analysis. PCA analysis identified 10 metabolites that correlated with alpha-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.
引用
收藏
页码：501 / 514
页数：14
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