芥子黄酮与芥子枝的分子对接及其对乳腺癌Mcf-7细胞系的细胞毒活性

Q3 Chemistry Molekul Pub Date : 2023-07-10 DOI:10.20884/1.jm.2023.18.2.6845
N. Nurlelasari, D. Harneti, R. Maharani, Darwati Darwati, T. Mayanti, K. Farabi, M. Hanafi, U. Supratman
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引用次数: 0

摘要

赤芍是一种Meliaceae科植物,被认为是柠檬苦素、三萜、甾体、生物碱和酚类物质的来源。这种植物是Meliaceae中第二大的植物,有53种,广泛分布在包括印度尼西亚在内的热带和亚热带地区。从该属中发现了具有有趣活性的化合物,包括抗炎、抗疟、细胞毒性、抗肿瘤和抗癌。其中一个有潜力发现新化合物的物种是毛果赤柱,因为目前还很少有植物化学研究。本研究旨在通过对ER-α受体(PDB代码:3ERD)、ER-β(PDB编码:1QKM)的计算机模拟方法,阐明毛喉鞘中一种化合物,即毛喉鞘黄酮的结构及其对乳腺癌症细胞的细胞毒性和HER-2(GDP代码:3PP0)。
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Morelloflavone and Molecular Docking from Stembark of Chisocheton lasiocarpus and Its Cytotoxic Activity Against Breast Cancer Mcf-7 Cell Lines
Chisocheton is a plant of the Meliaceae family which has been known as a source of limonoids, triterpenoids, steroids, alkaloids and phenolics. This plant is the second largest in the Meliaceae, with 53 species widely distributed in tropical and subtropical regions including Indonesia. From this genus, compounds that have interesting activities have been found, including anti-inflammatory, antimalarial, cytotoxic, antitumor and anticancer. One of the species that has the potential to find new compounds is Chisocheton lasiocarpus because there are still few phytochemical studies. This study aims to inform the structural elucidation of one of the compounds from the stem bark of C. lasiocarpus, namely morelloflavone and its cytotoxic potential against breast cancer cells using the in silico method against ER-α receptors (PDB code: 3ERD), ER-β (PDB code: 1QKM). ) and HER-2 (GDP code: 3PP0).
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来源期刊
Molekul
Molekul Chemistry-Chemistry (all)
CiteScore
1.30
自引率
0.00%
发文量
31
审稿时长
4 weeks
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