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L.根汁的体外和计算机模拟抗炎潜力研究

Investigation of In Vitro and In Silico Anti-Inflammatory Potential of L. Root Juice.

作者信息

Moualek Idir, Bendif Hamdi, Dekir Ali, Benarab Karima, Belounis Yousra, Elfalleh Walid, Houali Karim, Peron Gregorio

机构信息

Laboratory of Analytical Biochemistry & Biotechnology Research, Faculty of Biological Sciences and Agricultural Sciences, University Mouloud Mammeri, Tizi-Ouzou 15000, Algeria.

Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11623, Saudi Arabia.

出版信息

Int J Mol Sci. 2025 Jun 21;26(13):5965. doi: 10.3390/ijms26135965.

Abstract

This study aimed to evaluate the anti-inflammatory properties of L. root juice (CRJ), which is used in the traditional medicine of Algeria. The product was characterized by colorimetric assays (total polyphenols, flavonoids, and tannins) and by RP-HPLC-DAD analysis. Experiments were conducted in vitro to assess the ability of CRJ to stabilize human erythrocyte membranes under various stress conditions and inhibit albumin denaturation, a process linked to inflammation. An in silico study was also performed to investigate the inhibitory effects on cyclooxygenase-2 (COX-2) and assess the phenolic constituents with the highest activity. Moderate levels of polyphenols, flavonoids, and tannins were assessed; among these, 22 compounds were identified via chromatographic analysis. While present at low concentrations, some of these compounds, including myricetin, luteolin, and quercetin, are known to exhibit bioactivity at micromolar levels. CRJ provided erythrocyte membranes with notable protection against disruption caused by hypotonic NaCl solutions (protection levels of 90.51%, 87.46%, and 76.87% at NaCl concentrations of 0.7%, 0.5%, and 0.3%, respectively), heat stress (81.54%), and oxidative damage from HClO (75.43%). Additionally, a protection of 61.5% was observed against albumin denaturation. Docking analysis indicated favorable COX-2 binding for myricetin, luteolin, and quercetin. In conclusion, the root juice derived from demonstrated potential anti-inflammatory activity in vitro and in silico. However, further studies, including in vivo investigations, are necessary to confirm efficacy and fully elucidate the mechanisms of action.

摘要

本研究旨在评估阿尔及利亚传统医学中使用的L.根汁(CRJ)的抗炎特性。该产品通过比色法(总多酚、黄酮类化合物和单宁)以及RP-HPLC-DAD分析进行表征。进行体外实验以评估CRJ在各种应激条件下稳定人红细胞膜的能力,并抑制与炎症相关的白蛋白变性过程。还进行了计算机模拟研究,以研究对环氧合酶-2(COX-2)的抑制作用,并评估活性最高的酚类成分。评估了适度水平的多酚、黄酮类化合物和单宁;其中,通过色谱分析鉴定出22种化合物。虽然其中一些化合物浓度较低,但包括杨梅素、木犀草素和槲皮素在内的一些化合物在微摩尔水平下已知具有生物活性。CRJ为红细胞膜提供了显著的保护,防止由低渗NaCl溶液(在NaCl浓度为0.7%、0.5%和0.3%时的保护水平分别为90.51%、87.46%和76.87%)、热应激(81.54%)和HClO氧化损伤(75.43%)引起的破坏。此外,观察到对白蛋白变性的保护率为61.5%。对接分析表明杨梅素、木犀草素和槲皮素与COX-2的结合良好。总之,源自的根汁在体外和计算机模拟中显示出潜在的抗炎活性。然而,需要进一步的研究,包括体内研究,以确认疗效并充分阐明作用机制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9457/12249700/73a2076d957e/ijms-26-05965-g001.jpg

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