芦丁可减轻与衰老相关的氧化应激:分子对接研究

Ali El-Far, Shaimaa M Saafan, Shymaa A. Mohamed, Fayza A El Tedawy, Abdelwahab Alsenosy
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引用次数: 0

摘要

:衰老是与慢性疾病相关的主要风险因素之一。氧化应激是原氧化剂诱发的衰老相关机制之一。氧化应激是人体细胞中自由基和抗氧化剂之间的失衡。在目前的研究中,我们研究了芦丁与衰老相关生物标志物的分子对接得分,包括人 β -半乳糖苷酶、caspase-8、caspase-9、caspase-3、磷脂酰肌醇-4、5-二磷酸 3-激酶催化亚基δ(PK3CD)、磷脂酰肌醇-4,5-二磷酸 3-激酶催化亚基γ(PK3CG)和 RAC-α 丝氨酸/苏氨酸蛋白激酶(AKT1)。所有蛋白质均来自 RCSB PDB 数据库(https://www.rcsb.org/),芦丁的三维结构则来自 PubChem 数据库(https://pubchem.ncbi.nlm.nih.gov/)。对接过程由 InstaDock 软件(https://instadock.webs.com/)完成,并由 BIOVIA Discovery Studio Visualizer 软件进行可视化。芦丁与 AKT1、PK3CD、PK3CG、β-半乳糖苷酶、caspase-8、caspase-9 和 caspase-3 的结合亲和力(p Ki)分别为 7.85、7.04、6.89、6.82、5.94、5.57 和 5.50。所获得的数据显示,芦丁与这些生物标志物具有明显的结合亲和力,这揭示了芦丁的抗衰老潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Rutin Attenuates Oxidative Stress Associated with Aging: Molecular Docking Study
: Aging is one of the major risk factors associated chronic diseases. Oxidative stress is one of the aging associated mechanisms induced by pro-oxidants. Oxidative stress is an imbalance between free radicals and antioxidants in body cells. In the current study, we investigated the molecular docking scores of rutin with aging associated biomarkers, including human β -galactosidase, caspase-8, caspase-9, caspase-3, phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta (PK3CD), phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma (PK3CG), and RAC-alpha serine/threonine-protein kinase (AKT1). All proteins were retrieved from RCSB PDB database (https://www.rcsb.org/), while rutin three-dimensional structure was obtained from PubChem database (https://pubchem.ncbi.nlm.nih.gov/). The docking process was achieved by InstaDock software (https://instadock.webs.com/) and visualized by BIOVIA Discovery Studio Visualizer software. Rutin exhibited binding affinity (p Ki ) against AKT1, PK3CD, PK3CG, β -galactosidase, caspase-8, caspase-9, and caspase-3 of 7.85, 7.04, 6.89, 6.82, 5.94, 5.57, and 5.50, respectively. The obtained data revealed that rutin exhibited marked binding affinity to these biomarkers revealing its anti-aging potential.
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