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计算机模拟验证苦杏仁苷作为蔷薇科植物苦杏仁中一种有效的抗癌化合物。

In silico authentication of amygdalin as a potent anticancer compound in the bitter kernels of family Rosaceae.

作者信息

Ayaz Zainab, Zainab Bibi, Khan Sajid, Abbasi Arshad Mehmood, Elshikh Mohamed S, Munir Anum, Al-Ghamdi Abdullah Ahmed, Alajmi Amal H, Alsubaie Qasi D, Mustafa Abd El-Zaher M A

机构信息

Department of Bioinformatics, Govt. Post Graduate College Mandian Abbottabad, Pakistan.

Department of Environmental Sciences, COMSATS University Islamabad, Abbottabad Campus, 22060, Pakistan.

出版信息

Saudi J Biol Sci. 2020 Sep;27(9):2444-2451. doi: 10.1016/j.sjbs.2020.06.041. Epub 2020 Jun 30.

DOI:10.1016/j.sjbs.2020.06.041
PMID:32884428
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7451698/
Abstract

Amygdalin a naturally occurring compound, predominantly in the bitter kernels of apricot, almond, apple and other members of Rosaceae family. Though, amygdalin is used as an alternative therapy to treat various types of cancer but its role in cancer pathways has rarely been explored yet. Therefore, present study was intended with the aim to investigate the alleged anti-cancerous effects of amygdalin specifically on PI3K-AKT-mTOR and Ras pathways of cancer in human body. Computational modelling and simulation techniques were used to assess the effect of amygdalin on PI3K-AKT-mTOR and Ras pathways using different level of dosage. It was observed that amygdalin had direct and substantial contribution to regulate PI3K-mTOR activities on threshold levels while the other caner pathways were effected indirectly. Consequently, amygdalin is a down-regulator of a cancer within a specified amount and contribute considerably to reduce various types of cancer in human. Furthermore, and analyses of amygdalin could be of helpful to authenticate its pharmacological effects.

摘要

苦杏仁苷是一种天然存在的化合物,主要存在于杏、杏仁、苹果及蔷薇科其他植物的苦果仁中。虽然苦杏仁苷被用作治疗各类癌症的替代疗法,但其在癌症通路中的作用尚未得到充分探索。因此,本研究旨在调查苦杏仁苷所谓的抗癌作用,特别是对人体癌症的PI3K-AKT-mTOR和Ras通路的作用。使用计算建模和模拟技术,评估不同剂量水平下苦杏仁苷对PI3K-AKT-mTOR和Ras通路的影响。结果发现,苦杏仁苷在阈值水平上对调节PI3K-mTOR活性有直接且显著的作用,而对其他癌症通路则有间接影响。因此,苦杏仁苷在特定剂量下是癌症的下调因子,对减少人类各种类型的癌症有很大贡献。此外,对苦杏仁苷的[此处原文缺失具体分析内容]分析可能有助于验证其药理作用。

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Phytochemical profiling, antioxidant and HepG2 cancer cells' antiproliferation potential in the kernels of apricot cultivars.杏品种果仁的植物化学特征分析、抗氧化及对肝癌HepG2细胞的抗增殖潜力
Saudi J Biol Sci. 2020 Jan;27(1):163-172. doi: 10.1016/j.sjbs.2019.06.013. Epub 2019 Jun 19.
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Targeting mTOR for cancer therapy.针对 mTOR 进行癌症治疗。
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Amygdalin from Apricot Kernels Induces Apoptosis and Causes Cell Cycle Arrest in Cancer Cells: An Updated Review.
Long term administration of loquat leaves and their major component, ursolic acid, attenuated endogenous amyloid-β burden and memory impairment.
长期服用枇杷叶及其主要成分熊果酸可减轻内源性淀粉样-β负担和记忆损伤。
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Onco-immunity and therapeutic application of amygdalin: A review.苦杏仁苷的肿瘤免疫及治疗应用:综述
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Amygdalin: A Review on Its Characteristics, Antioxidant Potential, Gastrointestinal Microbiota Intervention, Anticancer Therapeutic and Mechanisms, Toxicity, and Encapsulation.苦杏仁苷:特性、抗氧化潜力、干预胃肠道微生物群、抗癌治疗和机制、毒性及包封的综述。
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Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.苦杏仁苷溶剂变体性质的洞察:X射线结构、分子间相互作用及转变
ACS Omega. 2022 Mar 1;7(10):8906-8918. doi: 10.1021/acsomega.1c07314. eCollection 2022 Mar 15.
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Variation in Amygdalin Content in Kernels of Six Almond Species ( spp. L.) Distributed in China.中国分布的六种扁桃(L. spp.)种仁中苦杏仁苷含量的变异
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8
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