槲皮素调节吲哚美辛的抗关节炎作用,可能通过cox和TNF-α相互作用途径

Rokibul Islam Chowdhury , Md. Sakib Al Hasan , Emon Mia , Raihan Chowdhury , Md. Showkot Akbor , Shoyaeb Ahammed , Md. Tahajul Islam , Md. Sabbir Hossain , Emílio Sousa Albuquerque , Irfan Aamer Ansari , Siddique Akber Ansari , Pedro Henrique de Sena Coutinho , Henrique Douglas Melo Coutinho , Muhammad Torequl Islam
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引用次数: 0

摘要

槲皮素(QUR)是一种类黄酮化合物,具有有效的抗氧化和抗炎特性,通常存在于各种水果和蔬菜中。本研究旨在通过体内实验和计算机实验的方法,评价古兰散联合吲哚美辛(indomethacin, INDO)对甲醛和松节油诱导的小鼠关节炎模型的协同抗关节炎作用,并探讨其潜在的分子机制。将60只雄性瑞士白化小鼠分为12组。动物分别口服QUR(12.5、25和50 mg/kg)、INDO (10 mg/kg)或QUR-25和INDO-10的组合。每隔一段时间记录舔爪和水肿情况。分子对接研究评估了QUR和INDO与环氧化酶-1 (COX-1)、COX-2和肿瘤坏死因子-α (TNF-α)的结合,而SwissADME和Protox-3.0用于药物相似性、药代动力学和毒性预测。QUR显著减少了两种模型的足跖水肿和舔舐行为。QUR-50 mg/kg表现出最显著的抗关节炎作用,与INDO相当或超过INDO,特别是在晚期。与单独治疗相比,QUR和INDO联合治疗表现出更强的疗效,炎症的减少更明显。在硅对接中发现,与INDO相比,QUR对COX-1、COX-2和TNF-α的结合亲和力(-8.5、-8.9、-8.7 kcal/mol)更强。QUR也表现出较好的药动学特性和较低的毒性。通过COX和TNF-α相互作用途径,QUR单独或与INDO联合均显示出显著的抗关节炎潜力。其长期疗效有待进一步研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Quercetin modulates the anti-arthritic effects of indomethacin, possibly through COXs and TNF-α interaction pathways
Quercetin (QUR) is a flavonoid compound with potent anti-oxidant and anti-inflammatory properties, commonly found in various fruits and vegetables. This study aims to evaluate the synergistic anti-arthritic effects of QUR in combination with indomethacin (INDO) in formaldehyde and turpentine oil-induced arthritis models in mice and to explore the underlying molecular mechanisms using in vivo and in silico approaches. Arthritis was induced in 60 male Swiss albino mice, divided into 12 groups. The animals were treated with QUR (12.5, 25, and 50 mg/kg), INDO (10 mg/kg), or a combination of QUR-25 and INDO-10, all administered per orally. Paw licking and edema were recorded at various intervals. Molecular docking studies assessed the binding of QUR and INDO to cyclooxygenase-1 (COX-1), COX-2, and tumor necrosis factor-alpha (TNF-α), while SwissADME and Protox-3.0 were used for drug-likeness, pharmacokinetics, and toxicity predictions. QUR significantly reduced paw edema and licking behavior in both models. QUR-50 mg/kg showed the most substantial anti-arthritic effects, comparable to or surpassing INDO, especially in the late phase. The combination of QUR and INDO exhibited enhanced efficacy, with a superior reduction in inflammation compared to either treatment alone. In silico docking revealed stronger binding affinities of QUR (-8.5, -8.9, -8.7 kcal/mol) for COX-1, COX-2, and TNF-α compared to INDO. QUR also showed better pharmacokinetic properties with lower toxicity. QUR demonstrates significant anti-arthritic potential, both alone and in combination with INDO, through COX and TNF-α interaction pathways. Further studies are needed to explore its long-term therapeutic efficacy.
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来源期刊
Food chemistry advances
Food chemistry advances Analytical Chemistry, Organic Chemistry, Chemistry (General), Molecular Biology
CiteScore
1.90
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99 days
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