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提取物的抗血管生成潜力及通过靶向VEGFR-2途径的分子对接研究

Antiangiogenic potential of extracts and molecular docking study by targeting VEGFR-2 pathway.

作者信息

Nazir Nausheen, Waqar Arbaz, Zaib Khan Amir, Ali Khan Ayaz, Aziz Tariq, Alasmari Abdullah F

机构信息

Department of Biochemistry, University of Malakand, Chakdara Dir Lower 18800, Pakistan.

Department of Biotechnology, University of Malakand, Chakdara Dir Lower 18800, Pakistan.

出版信息

Open Med (Wars). 2025 Jan 16;20(1):20241083. doi: 10.1515/med-2024-1083. eCollection 2025.

Abstract

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 () 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 IC 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 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 possess antiangiogenic activity which needs to be explored further.

摘要

背景

抗血管生成或抑制血管形成是预防肿瘤生长和转移的最佳方法。目前正在探索植物等天然来源的抗血管生成活性,因为它们是各种植物化学物质的工厂。本研究的目的是通过鸡胚绒毛尿囊膜(CAM)试验和分子对接来研究()的抗血管生成潜力。

方法

基于我们之前的研究,使用包括粗甲醇(Eu-Met)、乙酸乙酯(Eu-EtAc)和氯仿(Eu-Chf)提取物在内的活性组分,通过CAM试验进行抗血管生成活性研究。此外,为了了解已鉴定化合物的结合机制,使用AutoDock vina作为对接软件,针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试验中,Eu-Met、Eu-EtAc和Eu-Chf提取物均表现出抗血管生成活性,但Eu-Chf表现出显著的抗血管生成活性,IC值为65.02μg/mL。在分子对接中,提取物及其活性组分(Eu-Met、Eu-EtAc和Eu-Chf)中报道的儿茶素、儿茶素水合物、桑色素、槲皮素和芦丁这五种化合物与VEGFR-2表现出强烈相互作用,结合亲和力分别为-9.4、-9.3、-9.9、-10.2和-9.4kcal/mol。

结论

基于我们的结果,我们可以声称()具有抗血管生成活性,需要进一步探索。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4f7b/11742088/242f5ab4d4e5/j_med-2024-1083-fig001.jpg

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