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预测哪些植物天然产物的混合物在计算机模拟中最有效地杀死人类白血病细胞?

Predicting in silico which mixtures of the natural products of plants might most effectively kill human leukemia cells?

机构信息

Faculty of Agriculture Research Park (FARP) and Department of Biochemistry, Faculty of Agriculture, Cairo University, Giza 12513, Egypt.

出版信息

Evid Based Complement Alternat Med. 2013;2013:801501. doi: 10.1155/2013/801501. Epub 2013 Jan 28.

DOI:10.1155/2013/801501
PMID:23431350
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3569894/
Abstract

The aim of the analysis of just 13 natural products of plants was to predict the most likely effective artificial mixtures of 2-3 most effective natural products on leukemia cells from over 364 possible mixtures. The natural product selected included resveratrol, honokiol, chrysin, limonene, cholecalciferol, cerulenin, aloe emodin, and salicin and had over 600 potential protein targets. Target profiling used the Ontomine set of tools for literature searches of potential binding proteins, binding constant predictions, binding site predictions, and pathway network pattern analysis. The analyses indicated that 6 of the 13 natural products predicted binding proteins which were important targets for established cancer treatments. Improvements in effectiveness were predicted for artificial combinations of 2 or 3 natural products. That effect might be attributed to drug synergism rather than increased numbers of binding proteins bound (dose effects). Among natural products, the combinations of aloe emodin with mevinolin and honokiol were predicted to be the most effective combination for AML-related predicted binding proteins. Therefore, plant extracts may in future provide more effective medicines than the single purified natural products of modern medicine, in some cases.

摘要

分析仅 13 种植物天然产物的目的是预测最有可能有效的 2-3 种天然产物对白血病细胞的人工混合物,从超过 364 种可能的混合物中选择。所选的天然产物包括白藜芦醇、厚朴酚、白杨素、柠檬烯、胆钙化醇、硫色菌素、芦荟大黄素和水杨苷,这些天然产物有超过 600 种潜在的蛋白质靶标。靶标分析使用 Ontomine 工具集进行文献搜索,以寻找潜在的结合蛋白、结合常数预测、结合位点预测和途径网络模式分析。分析表明,13 种天然产物中有 6 种预测结合蛋白是已确立癌症治疗的重要靶点。人工组合 2 或 3 种天然产物的有效性预计会提高。这种效果可能归因于药物协同作用,而不是结合的结合蛋白数量增加(剂量效应)。在天然产物中,芦荟大黄素与美伐他汀和厚朴酚的组合被预测为与 AML 相关的预测结合蛋白最有效的组合。因此,在某些情况下,植物提取物可能会提供比现代医学单一纯化天然产物更有效的药物。

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Antitumor properties and modulation of antioxidant enzymes' activity by Aloe vera leaf active principles isolated via supercritical carbon dioxide extraction.采用超临界二氧化碳萃取分离的库拉索芦荟叶活性成分的抗肿瘤特性及其对抗氧化酶活性的调节作用。
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