探索榄香烯的抗癌潜力:一项关于肺癌的系统网络药理学研究。

IF 1.4 Q3 Pharmacology, Toxicology and Pharmaceutics Journal of Advanced Pharmaceutical Technology & Research Pub Date : 2024-01-01 Epub Date: 2024-01-15 DOI:10.4103/JAPTR.JAPTR_334_23
Roihatul Mutiah, Ermin Rachmawati
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引用次数: 0

摘要

对肺癌患者进行化疗会产生一些副作用,而且由于化疗耐药性,化疗效果较差。虽然榄香烯(Eleutherine bulbosa (Mill.) Urb.)具有抗癌特性,但其活性化合物的确切特征和肺癌抑制机制尚未完全清楚。本研究旨在从EBE提取物中鉴定提示性化合物,并解释EBE抗肺癌的分子机制。研究采用液相色谱-串联质谱法(LC-MS/MS)确认了刺五加提取物中的化合物。利用吸收、分布、代谢、排泄、毒性软件确定了三种主要代谢物的生物利用度。利用 Cytoscape 3.9.1 的网络药理学和 STRING 11.0 的蛋白质-蛋白质相互作用网络技术确定了药物的抗癌分子机制预测。利用PyRx Autodock Vina 9.0和BIOVIA Discovery Studio,以厄洛替尼为对照,采用位点特异性分子对接分析了白藜芦醇与细胞外生长因子受体(EGFR)之间的相互作用。LC-MS/MS 共鉴定出 16 种活性化合物。只有白藜芦醇通过与肺癌相关的13个基因和6条信号通路的相互作用显示出抗癌特性。分子对接结果支持了网络药理学的发现。白藜芦醇与肺癌重要受体表皮生长因子受体的结合亲和力(-6.9 kcal/mol)比对照组厄洛替尼(-6.2 kcal/mol)更负。有证据表明,EBE 中的白藜芦醇可通过与表皮生长因子受体结合,调节肺癌细胞的增殖和凋亡,从而发挥抗癌作用。
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Exploring the anticancer potential of Eleutherine bulbosa: A systematic network pharmacology study on lung cancer.

Chemotherapy application in lung cancer patients has several side effects and shows lower effectiveness due to chemoresistance. Although Eleutherine bulbosa (Mill.) Urb. (EBE) elicit anticancer properties, yet the exact profile of its active compounds and lung cancer inhibition mechanisms were not fully understood. This study aimed to identify suggestive compounds from EBE extract and explain the molecular mechanisms of EBE against lung cancer. Identification of the compound from the EBE extract was confirmed using liquid chromatography-tandem mass spectrophotometry (LC-MS/MS). The bioavailability profile of three major metabolites was identified using absorption, distribution, metabolism, excretion, toxicity software. The anticancer molecular mechanism prediction of the drugs was ascertained by network pharmacology using Cytoscape 3.9.1 and the protein-protein interaction network technique with STRING 11.0. Interaction between resveratrol and extracellular growth factor receptor (EGFR) was analyzed using site-specific molecular docking with erlotinib as the control using PyRx Autodock Vina 9.0 and BIOVIA Discovery Studio. A total of 16 active compounds were identified from LC-MS/MS. Only resveratrol showed anticancer properties by its interaction with 13 genes and 6 signaling pathways related to lung cancer. The molecular docking result supports the network pharmacology finding. The binding affinity of resveratrol with EGFR, important receptor in lung cancer, was more negative (-6.9 kcal/mol) than erlotinib (-6.2 kcal/mol) as the control. Evidence suggested that resveratrol in EBE exhibits anticancer effects by modulating lung cancer cell proliferation and apoptosis through EGFR binding.

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来源期刊
CiteScore
2.00
自引率
7.10%
发文量
44
审稿时长
20 weeks
期刊介绍: Journal of Advanced Pharmaceutical Technology & Research (JAPTR) is an Official Publication of Society of Pharmaceutical Education & Research™. It is an international journal published Quarterly. Journal of Advanced Pharmaceutical Technology & Research (JAPTR) is available in online and print version. It is a peer reviewed journal aiming to communicate high quality original research work, reviews, short communications, case report, Ethics Forum, Education Forum and Letter to editor that contribute significantly to further the scientific knowledge related to the field of Pharmacy i.e. Pharmaceutics, Pharmacology, Pharmacognosy, Pharmaceutical Chemistry. Articles with timely interest and newer research concepts will be given more preference.
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