黑叶参提取物抗血管生成潜能及靶向VEGFR-2途径的分子对接研究

IF 1.7 4区 医学 Q2 MEDICINE, GENERAL & INTERNAL
Open Medicine Pub Date : 2025-01-16 eCollection Date: 2025-01-01 DOI:10.1515/med-2024-1083
Nausheen Nazir, Arbaz Waqar, Amir Zaib Khan, Ayaz Ali Khan, Tariq Aziz, Abdullah F Alasmari
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引用次数: 0

摘要

背景:抗血管生成或抑制血管形成是防止肿瘤生长和转移的最佳途径。由于植物是各种植物化学物质的工厂,其抗血管生成活性目前正在被探索。本研究采用毛囊膜(CAM)测定和分子对接的方法,探讨蝴蝶花(Elaeagnus umellata, E. umellata)的抗血管生成潜能。方法:在前期研究的基础上,采用CAM法对粗甲醇(Eu-Met)、乙酸乙酯(Eu-EtAc)、氯仿(Eu-Chf)提取物进行抗血管生成活性测定。此外,为了了解所鉴定化合物的结合机制,利用AutoDock vina作为对接软件,对血管内皮生长因子受体2 (VEGFR-2)进行分子对接。VEGFR-2在病理性血管生成中过表达。结果:在CAM实验中,Eu-Met、Eu-EtAc和Eu-Chf提取物均具有抗血管生成活性,其中Eu-Chf具有显著的抗血管生成活性,IC50值为65.02 μg/mL。在分子对接中,报道了雨莲提取物和活性组分(Eu-Met、Eu-EtAc和Eu-Chf)中5种化合物儿茶素、儿茶素水合物、莫里素、槲皮素和芦丁与VEGFR-2的强相互作用,结合亲和度分别为-9.4、-9.3、-9.9、-10.2和-9.4 kcal/mol。结论:根据我们的研究结果,我们可以认为伞花具有抗血管生成的活性,但这一活性还有待进一步研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Antiangiogenic potential of Elaeagnus umbellata extracts and molecular docking study by targeting VEGFR-2 pathway.

Background: Anti-angiogenesis or inhibition of blood vessel formation is the best way to prevent the growth and metastasis of tumors. Natural sources like plants are currently being explored for its antiangiogenic activity as they are factories of various phytochemicals. The goal of the current study is to investigate the antiangiogenic potential of Elaeagnus umbellata (E. umbellata) by using chorioallantoic membrane (CAM) assay and molecular docking.

Methods: Based on our previous research, the antiangiogenic activity was carried out using active fractions including crude methanol (Eu-Met), ethyl acetate (Eu-EtAc), and chloroform (Eu-Chf) extracts using CAM assay. Furthermore, to understand the binding mechanism of identified compounds, molecular docking was performed against vascular endothelial growth factor receptor 2 (VEGFR-2) using AutoDock vina as docking software. VEGFR-2 is overexpressed in pathological angiogenesis.

Results: In CAM assay, Eu-Met, Eu-EtAc, and Eu-Chf extracts showed antiangiogenic activities but notable antiangiogenic activities were exhibited by Eu-Chf with IC50 value of 65.02 μg/mL. In molecular docking, five compounds, catechin, catechin hydrate, morin, quercetin, and rutin, reported in the extract and active fractions (Eu-Met, Eu-EtAc, and Eu-Chf) of E. umbellata showed strong interactions with VEGFR-2 with binding affinities of -9.4, -9.3, -9.9, -10.2, and -9.4 kcal/mol.

Conclusion: Based on our results, we can claim that E. umbellata possess antiangiogenic activity which needs to be explored further.

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来源期刊
Open Medicine
Open Medicine Medicine-General Medicine
CiteScore
3.00
自引率
0.00%
发文量
153
审稿时长
20 weeks
期刊介绍: Open Medicine is an open access journal that provides users with free, instant, and continued access to all content worldwide. The primary goal of the journal has always been a focus on maintaining the high quality of its published content. Its mission is to facilitate the exchange of ideas between medical science researchers from different countries. Papers connected to all fields of medicine and public health are welcomed. Open Medicine accepts submissions of research articles, reviews, case reports, letters to editor and book reviews.
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