Active Compounds in Broadleaf Mahogany (Swietenia macrophylla) Seeds as Antiaging Agent Based on Molecular Docking Study

Irmanida Batubara, Faradina Aulia Putri, D. Tohir, Shadila Fira Asoka
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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.
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大叶红木种子抗衰老活性物质的分子对接研究
褐色斑点和皱纹的出现可能是衰老的迹象,这会增加患癌症的风险。阔叶桃花心木种子中的化合物含有许多化合物,并且已知具有抗癌活性。本研究的目的是通过分析这些植物种子中的化合物与MMP-1酶(基质金属蛋白酶)、NEP(奈普赖氨酸)、PPO3(多酚氧化酶)的分子对接相互作用,确定它们具有抗衰老潜力,并为寻找抗癌化合物提供支持。两种化合物具有对MMP-1和PPO3酶的强抑制剂的潜力,即β-细胞狭窄酮和3β-羟基斯的马司特-5-烯-7(其为类固醇基团),以及germacrena a和GermacrenaD(其为萜类化合物)。只有化合物3β-羟基斯的马司特-5-烯-7具有作为NEP酶的强抑制剂的潜力。根据利平斯基规则,所有化合物都有可能成为强抑制剂。根据ΔG和结合位点相似性(BSS)值,只有与PPO3酶结合的化合物比天然配体具有更好的活性。
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来源期刊
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发文量
10
审稿时长
24 weeks
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