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Alvionita, Cicin Vinolia
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Immunology & microbiology

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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 Andyni, Regina Shania fatchiyah . Hermanto, Feri Eko Narwasthu, Sekararum Nia Kurniawan Robiatul Adawiyah Rosyada, Nabila Nur