Andrographis paniculata is known as the king of bitter and it has been widely used as a medicinal plant. The properties of A. paniculata are generally determined by the metabolite composition, which may be influenced by several factors, one of which is the part of the plant extracted. The objectives of this research are to identify putatively the metabolite composition of the stem and the leaves extracts using LC-MS/MS and classify them using PCA. The stem and the leaves samples were separated and extracted using sonication with 70% ethanol. A total of 31 metabolite compounds has been putatively identified. All compounds were identified in the stem and the leaves extracts, which only differed in their intensity. These metabolite compounds were divided into diterpene lactones, flavonoids, and phenolic acid groups. By using the peak intensities of the 18 compounds identified, the leaves and stem extracts were grouped using PCA.

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Sida rhombifolia, also known as sidaguri in Indonesia, is a medicinal plant commonly used as a herbal medicine because of its metabolite and biological activities. One of the several factors that affect plant metabolite composition and concentration is the use of plant parts. In this study, the experiment aimed to identify the metabolite profile in the leaves and stem extracts of S. rhombifolia using UHPLC-Q-Orbitrap HRMS-based untargeted metabolomics. The samples were distinguished by principal component analysis (PCA). Extraction of metabolites was conducted by sonication for approximately 30 min with 70% ethanol as the extraction solvent; 28 metabolites were identified. Seven metabolites were identified only in the leaves, three were identified only in the stems, and 18 other metabolites were identified in both the leaves and stems. These metabolites were categorized as flavonoids, triterpenoids, alkaloids, coumarins, phenolic aldehydes, phenolic acids, ecdysteroids, fatty acids, and monoterpene lactones. Based on the classification results, PCA grouped the leaves and stem extracts of S. rhombifolia using the peak area variables of the identified metabolites.

Abstract. Rafi M, Septaningsih DA, Karomah AH, Lukman, Prajogo B, Amran MB, Rohman A. 2021. Inhibition of α-glucosidase activity, metals content, and phytochemical profiling of Andrographis paniculata from different geographical origins based on FTIR and UHPLC-Q-Orbitrap HRMS metabolomics. Biodiversitas 22: 1535-1542. Ensuring consistency of quality, safety, and efficacy of herbal medicines from raw materials to finished products is important because of the variability in medicinal plants' active components. One of the plants that have been used as an antidiabetic herbal medicine is A. paniculata. This study aims to determine α-glucosidase inhibitory activity, the content of several metals, FTIR spectrum profile, and putative identification of A. paniculata metabolites using UHPLC-Q-Orbitrap HRMS from different geographical origin. We found that ethanol extract of A. paniculata gave higher inhibition of α-glucosidase activity compared to water extract. Eight metals were determined using FAAS and FAES, and calcium showed the highest content in all A. paniculata samples. FTIR spectra of A. paniculata showed a similar profile and only differed in the absorbance. We detected the presence of OH, C=O, C=C aromatic, and C-O functional groups in A. paniculata extract. About 32 metabolites were putatively identified in A. paniculata, mainly from phenolic and diterpene lactones class compounds based on UHPLC-Q-Orbitrap HRMS. Using a combination of FTIR spectra and peak area from 32 identified peaks, we can clustered A. paniculata based on its geographical origin. Based on the result obtained, the geographical origin of A. paniculata affected the metals and metabolites composition and level, resulting in different levels of α-glucosidase inhibitory activity.

The potential application of Xylocarpus granatum, a mangrove species, as traditional medicine has been widely linked to its high secondary metabolite and antioxidant contents. However, few studies have been reported to identify and classify active metabolites responsible for such excellent biological activities. Therefore, the aim of this work was to determine the antioxidant activity, identify the metabolite profiles, and predict the metabolites acting as antioxidants in X. granatum extract using a gas chromatography–mass spectrometry (GC-MS)-based metabolomics approach. The seeds, stems, fruit peel, pulp, leaves, and twigs of X. granatum were macerated with ethanol. Each extract was analyzed with GC-MS, and the data were processed using mass spectrometry data-independent analysis (MS-DIAL) software to identify the metabolites. The IC50 value of plant parts of X. granatum ranged from 7.73 to 295 ppm. A total of 153 metabolites were identified and confirmed in the X. granatum extracts. Among the identified metabolites, epicatechin and epigallocatechin were the two most abundant in the stem extracts and are expected to have the greatest potential as antioxidants. Principal component analysis (PCA) succeeded in grouping all parts of the plant into three groups based on the composition of the metabolites: group 1 (stems, fruit peel, and twigs), group 2 (seeds and pulp), and group 3 (leaves).