青蒿无毒黄酮类化合物可作为抗癌化合物的计算分析

Erum Dilshad, M. Idrees, Bareera Sajid, Anum Munir, S. Fazal
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引用次数: 1

摘要

目的:利用计算方法鉴定黄花蒿中潜在的抗癌黄酮类化合物。研究设计:采用计算方法通过cdrug预测黄酮类化合物的抗癌活性,并与标准抗癌药物进行比较,确定所选黄酮类化合物的理化性质和毒性预测。研究地点和时间:该研究于2017年12月至2018年7月在首都科技大学(CUST)伊斯兰堡生物信息学和生物科学系进行。材料与方法:下载黄花蒿(Artemisia annua L .)中黄酮类化合物,应用相似度搜索、毒性预测、靶点识别等计算技术研究其抗癌活性。结果:木犀草碱、茜草油醇、茜草油醇、蒲柏苷、茜草素、青蒿素在所有黄酮类化合物中均呈阳性。由于抗癌活性、对癌细胞的毒性以及与已批准的抗癌药物的相似性,这些化合物有可能取代抗癌药物。结论:筛选到的化合物是未来抗癌药物的良好候选物。然而,这是一项计算机研究,需要进一步的实验室和酶分析确认,这可以在将来进行体外实验。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Non-Toxic Flavonoids of Artemisia annua can be used as Anti-Cancer Compounds: A Computational Analysis
Objective: To identify potential flavonoids of Artemisia annua effective against cancer using computationalapproaches.Study Design: Computational approaches were used to predict the anticancer activity of flavonoids throughCDRUG, comparing it with the standard anticancer drug, followed by determining physiochemical propertiesand toxicity prediction of the selected flavonoids.Place and Duration of Study: The study was carried out at Department of Bioinformatics and Biosciences ofCapital University of Science and Technology (CUST) Islamabad, from December 2017 to July 2018.Materials and Methods: The flavonoids of Artemisia annua L were downloaded and computational techniques such as similarity search, toxicity prediction, targets identification etc. were applied to investigate their anti-cancer activities.Results: Luteoline, Cirsilineol, Cirsiliol, Eupatorin, Crisimaritin and Artemetin showed positive results among allthe tested flavonoids. These compounds have the potential to replace anti-cancer drugs because of anti-canceractivity, toxicity against cancer cells and similarity with approved anti-cancer agents.Conclusion: The screened compounds are good candidate for future drugs to be used against cancer. However,this is an in-silico study requiring further laboratory and enzymatic assays confirmation, which can be done invitro in future.
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