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All Journal HAYATI Journal of Biosciences Majalah Obat Tradisional Indonesian Journal of Chemistry
Karomah, Alfi Hudatul
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Agriculture, Biological Sciences & Forestry Chemical Engineering, Chemistry & Bioengineering Chemistry Earth & Planetary Sciences Health Professions Medicine & Pharmacology Public Health

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LC-HRMS-Based Metabolomics for Profiling the Metabolites in Different Plant Parts of Centella asiatica Rafi, Mohamad; Madya, Muhammad Miftahul; Karomah, Alfi Hudatul; Septaningsih, Dewi Anggraini; Ridwan, Taopik; Rohaeti, Eti; Aisyah, Siti; Idroes, Rinaldi
HAYATI Journal of Biosciences Vol. 31 No. 6 (2024): November 2024
Publisher : Bogor Agricultural University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.4308/hjb.31.6.1106-1115

Abstract

Centella asiatica, or pegagan in Indonesia, is a perennial plant used in Indonesian traditional medicine (jamu) and functional food with many biological activities. Those biological activities come from the bioactive metabolites present in C. asiatica. Differences in metabolite pathways in each part of the plant affect the accumulation of metabolites contained, thus impacting its biological activity. Therefore, this study aims to identify and evaluate differences in the distribution of metabolites in each part of C. asiatica, namely leaves, stems, stolons, and roots. Each plant part was extracted using methanol and sonicated for 30 minutes. The metabolites in the samples were separated and detected using UHPLC-Q-Orbitrap HRMS. Differences in the distribution of metabolites in each part of the plant were evaluated using chemometrics analysis. UHPLC-Q-Orbitrap HRMS analysis could positively identify 37 metabolites, most of which belong to the phenylpropanoid, triterpenoid, triterpenoid saponin, and flavonoid groups. Principal component analysis was able to clearly distinguish each part of the plant using the peak intensity of the overall chromatogram and the peak area of the identified metabolites. The different biosynthetic pathways of metabolites in plants could cause a difference in the distribution of metabolites in each plant.
LC-HRMS-Based Metabolomics Approach Reveals Antioxidant Compounds from Centella asiatica Leaves Extracts Silvia, Riva; Wahyuni, Wulan Tri; Rohaeti, Eti; Aisyah, Siti; Septaningsih, Dewi Anggraini; Karomah, Alfi Hudatul; Rafi, Mohamad
Indonesian Journal of Chemistry Vol 24, No 6 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.90782

Abstract

Centella asiatica is a medicinal plant widely used as a traditional medicine due to several biological activities, such as antioxidants in Indonesia. This study aims to identify the active antioxidant compounds of C. asiatica leaves extract using a liquid chromatography-mass spectrometry/mass spectrometry (LC-MS/MS)-based metabolomics approach. Extracts were prepared using different concentrations of ethanol p.a., i.e. 70% ethanol, 50% ethanol, 30% ethanol, and water. Antioxidant activity was tested using the 2,2-diphenyl-1-picrylhydrazyl method. The results showed the highest antioxidant activity was C. asiatica extracted by 70% ethanol with IC50 of 72.48 ± 2.42 µg/mL. The positive control was ascorbic acid, having an IC50 value of 3.38 ± 0.04 µg/mL. Ascorbic acid and 70% ethanol extract have strong antioxidant activity. Metabolite profiling using LC-MS/MS could identify 35 metabolites consisting of flavonoids, fatty acids, phenolics, terpenes, and several other groups of compounds. Orthogonal partial least squares-discriminant analysis classified the metabolites into active (ethanol 70% and ethanol 50%) and inactive (ethanol p.a., ethanol 30%, and water) antioxidants. Five metabolites have potential as antioxidants, namely 4,5-dicaffeoylquinic acid (11), kaempferol (13), and three unknown compounds.
Combination of FTIR-based Fingerprinting and Chemometrics Analysis for Discrimination of Tithonia diversifolia Leaves Extracts and Correlation with α-Glucosidase Inhibitory Activity Rafi, Mohamad; Aziz, Zuhelmi; Purmasari, Davita; Karomah, Alfi Hudatul
Majalah Obat Tradisional Vol 30, No 1 (2025)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/mot.93996

Abstract

Tithonia diversifolia, known as Mexican sunflower, has been widely used as an herbal medicine to treat diabetes. This study used FTIR fingerprint spectra combined with chemometrics to differentiate T. diversifolia leaves extracts with different extracting solvents and their correlation with the inhibition of α-glucosidase activity. T. diversifolia collected from two growing locations (West Bandung and Sleman, Indonesia) was extracted with absolute ethanol, 50% ethanol, and water using ultrasonication. The ethanol absolute extract yielded a higher IC50 than the 50% ethanol and water extract. The FTIR spectra of each extract had a different profile, implying that the composition and the concentration of the metabolite extracted were relatively distinct. Absorbance data from the FTIR spectra in the 4000–400 cm−1 range were used to group all extracts according to the extracting solvent using principal component analysis (PCA). Before PCA, the FTIR spectra were subjected to signal preprocessing using a standard normal variate. We found that all of the extracts could be distinguished based on the extracting solvents using principal components (PC) 1 and 2 with a cumulative percentage of approximately 87%. Partial least square regression (PLSR) was used to correlate the FTIR spectra and the inhibition of the α-glucosidase activity to obtain a functional group of a metabolite that contributed to inhibiting the α-glucosidase activity. From the PLSR, peaks from the wavenumbers at ~3300 cm−1, ~3000 cm−1, ~1650 cm−1, ~1350 cm−1, and ~1100 cm−1 corresponded to the O-H, CH3, CH2, C=C, and C-O, which were thought to be responsible for inhibiting the α-glucosidase. Therefore, these functional groups were owned by the metabolites in the T. diversifolia leaves extracts that contributed to the inhibition of α-glucosidase.
FTIR-Fingerprinting Spectra Combined with Chemometrics Analysis for Distinguishing Strobilanthes phyllostachya Leaves Extracts and Correlation with Their Antioxidant Activity Rafi, Mohamad; Tohib, Devanka Aulia; Saputra, Agus; Aziz, Zuhelmi; Karomah, Alfi Hudatul
HAYATI Journal of Biosciences Vol. 32 No. 6 (2025): November 2025
Publisher : Bogor Agricultural University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.4308/hjb.32.6.1584-1591

Abstract

The leaves of Strobilanthes phyllostachya have a long history of use as a herbal medicine, and research has demonstrated that they contain a range of metabolites with antioxidant activity. This study will employ a chemometric approach to analyze the correlation between functional groups from Fourier Transform Infrared Spectroscopy (FTIR) spectra and antioxidant activity. The leaf samples will be extracted with water and ethanol at 30%, 50%, 70%, and ethanol p.a. Moreover, the extracts will be evaluated for their antioxidant activity and analyzed using FTIR spectroscopy. The antioxidant activity measurement results indicate that the 70% ethanol extract of S. phyllostachya exhibits the highest antioxidant activity. The IR spectra of the water and ethanol extracts exhibited slight differences in their patterns. While the spectra of the various ethanol extracts exhibited similarities, their absorption values differed. A principal component analysis with absorbance from the FTIR spectra at wavenumber 3400-2800 and 1800-1000 cm-1 gave a good cluster of different solvent extractions used in this study. The total variation of principal component-1 (PC-1) and PC-2 is 90%. The partial least square regression (PLSR) analysis results were used to correlate the absorbance value of FTIR spectra of S. phyllostachya extract with antioxidant activity. From the PLS-R analysis, we identified a functional group, i.e. carbonyl and hydroxyl, which significantly contributed to the antioxidant activity of the S. phyllostachya extract. The value of the R2 parameter, which assesses the goodness of fit, was found to be 0.9630, indicating that the PLSR model is good.  
Co-Authors Eti Rohaeti M. Rafi Madya, Muhammad Miftahul Purmasari, Davita Rinaldi Idroes Saputra, Agus Septaningsih, Dewi Anggraini Silvia, Riva Siti Aisyah Taopik Ridwan Tohib, Devanka Aulia Wulan Tri Wahyuni Zuhelmi Aziz