槲皮素作为靶向AKT1、MMP9、ABCB1和VEGFA的多形性胶质母细胞瘤抗癌候选药物：一项计算机研究

Karbala International Journal of Modern Science Pub Date : 2023-08-06 DOI:10.33640/2405-609x.3312

M. H. Widyananda, S. Pratama, A. Ansori, Y. Antonius, V. D. Kharisma, Ahmad Affan Ali Murtadlo, V. Jakhmola, Maksim Rebezov, M. Khayrullin, Marina Derkho, Emdad Ullah, R. J. Susilo, S. Hayaza, A. Nugraha, Annise Proboningrat, Amaq Fadholly, M. Sibero, Rahadian Zainul

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引用次数: 1

摘要

摘要槲皮素是一种存在于各种水果和蔬菜中的天然化合物，有望成为多形性胶质母细胞瘤（GBM）发展的潜在抑制剂。本研究旨在检测槲皮素的抗GBM潜力。槲皮素的蛋白质靶标使用数据库如NCBI、SEA、CTD和STRING进行鉴定和分析。基于获得的靶蛋白进行蛋白质-蛋白质相互作用（PPI）和功能注释。使用AutoDock-Vina和WebGro工具进行分子对接和动力学模拟，以分析槲皮素与其靶蛋白之间的相互作用。蛋白质靶点的预测显示槲皮素直接靶向与GBM相关的四种蛋白质。总之，槲皮素显示出作为一种抗GBM药物的潜力，特别是通过靶向

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Quercetin as an anticancer candidate for glioblastoma multiforme by targeting AKT1, MMP9, ABCB1, and VEGFA: An in silico study

Abstract Quercetin, a natural compound present in various fruits and vegetables, shows promise as a potential inhibitor for glioblastoma multiforme (GBM) development. This study aims to examine the anti-GBM potential of Quercetin. The protein target of Quercetin is identified and analyzed using databases such as NCBI, SEA, CTD, and STRING. Protein-protein interaction (PPI) and functional annotation are carried out based on the obtained target proteins. Molecular docking and dynamics simulations are employed using AutoDock Vina and WebGro tools to analyze the interaction between Quercetin and its target proteins. The prediction of protein targets reveals that Quercetin directly targets four proteins associated with GBM. In conclusion, Quercetin demonstrates potential as an anti-GBM agent, specifically by targeting

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来源期刊

Karbala International Journal of Modern Science Multidisciplinary-Multidisciplinary

CiteScore

2.50

自引率

0.00%

发文量