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探索种子提取物的治疗潜力:对植物化学成分、抗炎功效、预测的抗关节炎特性及分子对接见解的多方面分析

Exploring the Therapeutic Potential of Seed Extracts: A Multi-Faceted Analysis of Phytochemical Composition, Anti-Inflammatory Efficacy, Predictive Anti-Arthritic Properties, and Molecular Docking Insights.

作者信息

Djehiche Cheima, Benzidane Nadia, Djeghim Hanene, Tebboub Mehdi, Mokrani El Hassen, Mebrek Saad, Messaoudi Mohammed, Bensouici Chawki, Alsalme Ali, Cornu David, Bechelany Mikhael, Arrar Lekhmici, Barhoum Ahmed

机构信息

Laboratory of Applied Biochemistry, Department of Biochemistry, Faculty of Nature and Life Sciences, Ferhat Abbas University of Setif 1, Setif 19000, Algeria.

Biochemistry Laboratory, Division of Biotechnology and Health, Biotechnology Research Center (CRBt), Constantine 25000, Algeria.

出版信息

Pharmaceuticals (Basel). 2024 Mar 18;17(3):385. doi: 10.3390/ph17030385.

Abstract

exhibits promising pharmacological activity, hinting at anti-inflammatory and anti-arthritic effects. This study investigated seed extracts from using methanol and n-hexane, focusing on anti-inflammatory and anti-arthritic properties. The methanol extract outperformed the n-hexane extract and diclofenac, a reference anti-inflammatory drug, in trypsin inhibition (85% vs. 30% and 64.67% at 125 μg/mL). For trypsin inhibition, the IC50 values were 82.97 μg/mL (methanol), 202.70 μg/mL (n-hexane), and 97.04 μg/mL (diclofenac). Additionally, the n-hexane extract surpassed the methanol extract and diclofenac in BSA (bovine serum albumin) denaturation inhibition (90.4% vs. 22.0% and 51.4% at 62.5 μg/mL). The BSA denaturation IC50 values were 14.30 μg/mL (n-hexane), 5408 μg/mL (methanol), and 42.30 μg/mL (diclofenac). Gas chromatography-mass spectrometry (GC-MS) revealed 59 and 58 secondary metabolites in the methanol and n-hexane extracts, respectively. The higher therapeutic activity of the methanol extract was attributed to hydroxyacetic acid hydrazide, absent in the n-hexane extract. In silico docking studies identified 28 compounds with negative binding energies, indicating potential trypsin inhibition. The 2-hydroxyacetohydrazide displayed superior inhibitory effects compared to diclofenac. Further mechanistic studies are crucial to validate 2-hydroxyacetohydrazide as a potential drug candidate for rheumatoid arthritis treatment.

摘要

表现出有前景的药理活性,暗示具有抗炎和抗关节炎作用。本研究使用甲醇和正己烷对[具体植物名称未给出]的种子提取物进行了研究,重点关注其抗炎和抗关节炎特性。在胰蛋白酶抑制方面(125μg/mL时分别为85%、30%和64.67%),甲醇提取物优于正己烷提取物和对照抗炎药双氯芬酸。对于胰蛋白酶抑制,IC50值分别为82.97μg/mL(甲醇)、202.70μg/mL(正己烷)和97.04μg/mL(双氯芬酸)。此外,在牛血清白蛋白(BSA)变性抑制方面(62.5μg/mL时分别为90.4%、22.0%和51.4%),正己烷提取物优于甲醇提取物和双氯芬酸。BSA变性的IC50值分别为14.30μg/mL(正己烷)、5408μg/mL(甲醇)和42.30μg/mL(双氯芬酸)。气相色谱 - 质谱联用(GC - MS)分析显示,甲醇提取物和正己烷提取物中分别含有59种和58种次生代谢产物。甲醇提取物较高的治疗活性归因于正己烷提取物中不存在的羟基乙酸酰肼。计算机模拟对接研究确定了28种具有负结合能的化合物,表明具有潜在的胰蛋白酶抑制作用。与双氯芬酸相比,2 - 羟基乙酰肼表现出更强的抑制作用。进一步的机制研究对于验证2 - 羟基乙酰肼作为类风湿性关节炎治疗的潜在药物候选物至关重要。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6dd/10974001/fd519b5a41f6/pharmaceuticals-17-00385-g001.jpg

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