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All Journal Al-Kimia Jurnal Jamu Indonesia
Tohir, Dudi
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Agriculture, Biological Sciences & Forestry Chemistry Other

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Active Compounds in Broadleaf Mahogany (Swietenia macrophylla) Seeds as Antiaging Agent Based on Molecular Docking Study Batubara, Irmanida; Aulia Putri, Faradina; Tohir, Dudi; Fira Asoka, Shadila
Al-Kimia Vol 11 No 1 (2023): JUNE
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v11i1.37700

Abstract

The appearance of brown spots and wrinkles can be a sign of aging which can increase the risk of cancer. Compounds in broadleaf mahogany seeds (Swietenia macrophylla) contains many compounds and is known to have anticancer activity. The purpose of this study was to determine the compounds in the seeds of these plants have the potential to antiaging by analyzing their molecular docking interaction on the MMP-1 enzyme (matrix metalloproteinase), NEP (neprilysin), PPO3 (polyphenol oxidase), and as a support for the search for anticancer compounds. Two compounds that have the potential as strong inhibitors towards MMP-1 and PPO3 enzymes, namely β-cytostenone and 3β-hydroxystigmast-5-en-7-on which is a steroid group, as well as germacrena A and germacrena D which are terpenoids. Only compound 3β-hydroxystigmast-5-en-7-on which has the potential as a strong inhibitor of the NEP enzyme. All compounds have the potential to be strong inhibitors according to the Lipinski rule. Only compounds which binds to the PPO3 enzyme which has better activity than natural ligand based on ΔG and Binding Site Similarity (BSS) values.
Potential of Active Compounds in Broadleaf Mahogany (Swietenia macrophylla) Seeds Against Breast Cancer Cells Based on In Silico Study Cahya, Hanifah Dwi; Nurlela, Nurlela; Tohir, Dudi; Batubara, Irmanida; Asoka, Shadila Fira; Yamauchi, Kosei
Jurnal Jamu Indonesia Vol. 9 No. 1 (2024): Jurnal Jamu Indonesia
Publisher : Tropical Biopharmaca Research Center, IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v9i1.296

Abstract

Breast cancer is a leading cause of cancer-related deaths in Indonesia. However, the drugs that are commonly used for treatment can cause side effects and become resistant over time. A study was conducted to test the cytotoxic activity of broadleaf mahogany (Swietenia macrophylla) seed extract on MCF-7 breast cancer cells in vitro. The study aimed to predict active compounds in the broadleaf mahogany seeds that have the potential to act as anti-breast cancer agents using in silico analysis. Molecular docking, visualization of the interaction between the receptor and the ligands, and physicochemical analysis were used to determine the most promising compounds. The receptors used were fibroblast growth factor receptor 1 (FGFR1), vascular endothelial growth factor receptor 2 (VEGFR2), insulin-like growth factor type 1 receptor (IGF-1R), estrogen receptor (ER-α), and progesterone receptor (PR). The results showed that 12 compounds have the potential to be active as anti-breast cancer agents. Three of these compounds, 3β,6-dihydroxydihydrocarapine, stigmasterol, and 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-chroman-4-one, were predicted to have similar mechanisms of inhibition as a comparator drug based on binding site similarity values. These compounds are predicted to be taken orally and are promising for further research.
Co-Authors Asoka, Shadila Fira Aulia Putri, Faradina Cahya, Hanifah Dwi Fira Asoka, Shadila Irmanida Batubara Nurlela Nurlela Yamauchi, Kosei