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All Journal Biotropika Indonesian Journal of Chemistry
Narwasthu, Sekararum
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Immunology & microbiology

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Screening of Potential Compounds in Tomato (Solanum lycopersicum) as Candidates for Anti Diabetes Mellitus Complications Narwasthu, Sekararum; Fahmi, Muhamad; Kurnianingsih, Nia; Wihastuti, Titin Andri; Fatchiyah, Fatchiyah
Indonesian Journal of Chemistry Vol 24, No 4 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.93505

Abstract

This study aimed to identify the potential of natural compounds in tomatoes for diabetic complications intervention using amino acid profile, HP-TLC, antioxidant assay, enzymatic inhibitor assay, and in silico approach. Fresh air-dried tomatoes were analyzed for several screening assays including amino acid determination, HP-TLC, antioxidant activity using FRAP, α-amylase, and α-glucosidase enzyme inhibition. Virtual screening, molecular docking and molecular dynamics were performed using Molinspiration, pKcSM, AutoDock Vina, Discovery Studio, PyMOL, and Yasara software. Tomato bioactive compounds showed promising drug-likeness, antioxidant and α-amylase/glucosidase inhibitory activities, and potential for AGE-RAGE interaction. Out of 19 compounds from whole tomatoes complying with Lipinski’s rule of five, genistein, apigenin, and naringenin exhibited high oral absorption potential. Tomato contains genistein compound based on HP-TLC and the compound has high antioxidant and antidiabetic activities. Genistein has a stronger binding affinity with RAGE compared to AGE, indicating its potential as a competitive inhibitor. Additionally, genistein displayed stable ligand movements and higher binding energy values in MD simulations compared to the control. These findings suggest the potential of tomato bioactive compounds for further development as antidiabetic agents targeting AGE-RAGE interaction. In conclusion, genistein in tomatoes is indicated as a candidate for anti-complications of diabetes mellitus. 
Computational Insight on Bioactive Compound Potential Activity of Kenitu (Chrysophyllum cainito L.) Leaves as PPAR-y Antagonist for Obesity Rosyada, Nabila Nur; Andyni, Regina Shania; Alvionita, Cicin Vinolia; Narwasthu, Sekararum; Adawiyah, Robiatul; Hermanto, Feri Eko; Kurniawan, Nia; Fatchiyah, Fatchiyah
Biotropika: Journal of Tropical Biology Vol. 12 No. 2 (2024)
Publisher : Universitas Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.biotropika.2024.012.02.03

Abstract

Studies reported that kenitu (Chrysophyllum cainito) has the potential as an anti-obesity agent. However, the mechanism underlying that activity remains unknown. On the other hand, targeting PPAR-y has played a beneficial role in regulating obesity. Therefore, this study will explain the anti-obesity potential of natural compounds from C. cainito in modulating obesity through inhibition of PPAR-y. Molecular docking was employed to identify the possibility of several compounds binding with the PPAR-y. Moreover, the stability of the interaction between PPAR-y and each compound was also evaluated using molecular dynamics analysis. The result showed that beta-sitosterol, lupeol, myricitrin, quercitrin, rutin, vitamin A, epicatechin, and chlorogenic acid are worthy of potential as PPAR-y antagonists. In advance, molecular dynamics simulations revealed that chlorogenic acid, quercitrin, and epicatechin were the most stable compounds to interact as an inhibitor of PPAR-y. In conclusion, compounds from star apple have some potential to improve the health status of patients’ obesity through PPAR-y antagonist activity.
Co-Authors Alvionita, Cicin Vinolia Andyni, Regina Shania Fahmi, Muhamad fatchiyah . Hermanto, Feri Eko Kurnianingsih, Nia Nia Kurniawan Robiatul Adawiyah Rosyada, Nabila Nur Titin Andri Wihastuti