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Year 2025, Volume: 29 Issue: 3, 971 - 984, 04.06.2025

Budiman Yasir Muh Azwar Ar Andi Paluseri Muhammad Akmal Sukara Yohei Saito Kyoko Nakagawa-goto Muhammad Raihan Gemini Alam , Abdul Rohman

https://doi.org/10.12991/jrespharm.1693824

Abstract

References

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Chemometric-assisted fingerprinting profiling of the Pagoda (Clerodendrum paniculatum L.) extract variation using proton nuclear magnetic resonance (1H NMR) method, compound isolation, and cytotoxic activity

Year 2025, Volume: 29 Issue: 3, 971 - 984, 04.06.2025

Budiman Yasir Muh Azwar Ar Andi Paluseri Muhammad Akmal Sukara Yohei Saito Kyoko Nakagawa-goto Muhammad Raihan Gemini Alam , Abdul Rohman

https://doi.org/10.12991/jrespharm.1693824

Abstract

One of the best solutions to understanding the chemical data of complex natural substances is to use chemometric techniques. This research aims to apply chemometric techniques, specifically principal component analysis (PCA) and cluster analysis (CA), to determine the fingerprint profiles of nine pagoda extracts (PCP) and their isolated compounds using 1H NMR data and to conduct initial cytotoxicity tests on the extracts. PCP flowers were extracted using various solvents and extraction methods, resulting in 9 types of extracts. The methanol-extracted flower portion was subjected to maceration and the compounds were then isolated using various techniques, including silica gel, column chromatography, and preparative thin layer chromatography (PTLC), which yielded 3 types of compounds. The structures were identified using 1D and 2D NMR and mass spectrometry. Meanwhile, their cytotoxic activity was tested on MCF-7, A549, KB, KB-VIN, and MDA-MB-231 cancer cells using the sulforhodamine B (SRB) assay. The research results revealed that compounds (1) stigmasta-5,22,25-trien-3β-ol, (2) 6-nonadecenoic acid, and (3) 6,9-nonadecadienoic acid, methyl ester was discovered in this plant for the first time. The fingerprinting profile of the PCP extracts and compounds showed resonance at δH 5.33 ppm (m, 1H) and δH 5.24 ppm (m, 1H). PCA of the 12 samples with eigenvalues > 1 explained 91% of the data and exhibited a normal distribution. The score plot was influenced by PC1 (82.2%) and PC2 (10.5%). The loading plot and CA combined with the linearity of (1), (2), and (3) with respect to the variation in extracts had determination coefficients (R² = 0.7550 - 0.9288) and similarities (78.26% - 98.98%). Cytotoxicity activity showed weak growth inhibition (> 89.6%) in all tested cancer cell types. In conclusion, 1H NMR spectrum and chemometrics detects the fingerprinting profile of Pagoda extract variations, clustering extracts, identifying marker compounds, and potential for cytotoxicity studies in cancer cells.

Keywords

Chemometrics Clerodendrum paniculatum spectroscopy cytotoxicity

References

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  • [18]Riswanto FDO, Windarsih A, Lukitaningsih E, Rafi M, Fadzilah NA, Rohman A. Metabolite fingerprinting based on 1H-NMR spectroscopy and liquid chromatography for the authentication of herbal products. Molecules. 2022; 27(4): 1198. https://doi.org/10.3390/molecules27041198
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There are 50 citations in total.

Details

Primary Language English
Subjects Pharmacology and Pharmaceutical Sciences (Other)
Journal Section Articles
Authors

Budiman Yasir This is me

Muh Azwar Ar This is me

Andi Paluseri This is me

Muhammad Akmal Sukara This is me

Yohei Saito This is me

Kyoko Nakagawa-goto This is me

Muhammad Raihan This is me

Gemini Alam

Abdul Rohman This is me

Publication Date June 4, 2025
Submission Date February 16, 2024
Acceptance Date July 29, 2024
Published in Issue Year 2025 Volume: 29 Issue: 3

Cite

APA Yasir, B., Azwar Ar, M., Paluseri, A., Sukara, M. A., et al. (2025). Chemometric-assisted fingerprinting profiling of the Pagoda (Clerodendrum paniculatum L.) extract variation using proton nuclear magnetic resonance (1H NMR) method, compound isolation, and cytotoxic activity. Journal of Research in Pharmacy, 29(3), 971-984. https://doi.org/10.12991/jrespharm.1693824
AMA Yasir B, Azwar Ar M, Paluseri A, Sukara MA, Saito Y, Nakagawa-goto K, Raihan M, Alam G, Rohman A. Chemometric-assisted fingerprinting profiling of the Pagoda (Clerodendrum paniculatum L.) extract variation using proton nuclear magnetic resonance (1H NMR) method, compound isolation, and cytotoxic activity. J. Res. Pharm. June 2025;29(3):971-984. doi:10.12991/jrespharm.1693824
Chicago Yasir, Budiman, Muh Azwar Ar, Andi Paluseri, Muhammad Akmal Sukara, Yohei Saito, Kyoko Nakagawa-goto, Muhammad Raihan, Gemini Alam, and Abdul Rohman. “Chemometric-Assisted Fingerprinting Profiling of the Pagoda (Clerodendrum Paniculatum L.) Extract Variation Using Proton Nuclear Magnetic Resonance (1H NMR) Method, Compound Isolation, and Cytotoxic Activity”. Journal of Research in Pharmacy 29, no. 3 (June 2025): 971-84. https://doi.org/10.12991/jrespharm.1693824.
EndNote Yasir B, Azwar Ar M, Paluseri A, Sukara MA, Saito Y, Nakagawa-goto K, Raihan M, Alam G, Rohman A (June 1, 2025) Chemometric-assisted fingerprinting profiling of the Pagoda (Clerodendrum paniculatum L.) extract variation using proton nuclear magnetic resonance (1H NMR) method, compound isolation, and cytotoxic activity. Journal of Research in Pharmacy 29 3 971–984.
IEEE B. Yasir, M. Azwar Ar, A. Paluseri, M. A. Sukara, Y. Saito, K. Nakagawa-goto, M. Raihan, G. Alam, and A. Rohman, “Chemometric-assisted fingerprinting profiling of the Pagoda (Clerodendrum paniculatum L.) extract variation using proton nuclear magnetic resonance (1H NMR) method, compound isolation, and cytotoxic activity”, J. Res. Pharm., vol. 29, no. 3, pp. 971–984, 2025, doi: 10.12991/jrespharm.1693824.
ISNAD Yasir, Budiman et al. “Chemometric-Assisted Fingerprinting Profiling of the Pagoda (Clerodendrum Paniculatum L.) Extract Variation Using Proton Nuclear Magnetic Resonance (1H NMR) Method, Compound Isolation, and Cytotoxic Activity”. Journal of Research in Pharmacy 29/3 (June 2025), 971-984. https://doi.org/10.12991/jrespharm.1693824.
JAMA Yasir B, Azwar Ar M, Paluseri A, Sukara MA, Saito Y, Nakagawa-goto K, Raihan M, Alam G, Rohman A. Chemometric-assisted fingerprinting profiling of the Pagoda (Clerodendrum paniculatum L.) extract variation using proton nuclear magnetic resonance (1H NMR) method, compound isolation, and cytotoxic activity. J. Res. Pharm. 2025;29:971–984.
MLA Yasir, Budiman et al. “Chemometric-Assisted Fingerprinting Profiling of the Pagoda (Clerodendrum Paniculatum L.) Extract Variation Using Proton Nuclear Magnetic Resonance (1H NMR) Method, Compound Isolation, and Cytotoxic Activity”. Journal of Research in Pharmacy, vol. 29, no. 3, 2025, pp. 971-84, doi:10.12991/jrespharm.1693824.
Vancouver Yasir B, Azwar Ar M, Paluseri A, Sukara MA, Saito Y, Nakagawa-goto K, Raihan M, Alam G, Rohman A. Chemometric-assisted fingerprinting profiling of the Pagoda (Clerodendrum paniculatum L.) extract variation using proton nuclear magnetic resonance (1H NMR) method, compound isolation, and cytotoxic activity. J. Res. Pharm. 2025;29(3):971-84.
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