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石斛酚,一种有前景的抗炎症天然药物:文献综述与基于计算的研究

Gigantol, a promising natural drug for inflammation: a literature review and computational based study.

作者信息

Chowdhury Raihan, Bhuia Shimul, Rakib Asraful Islam, Al Hasan Sakib, Shill Manik Chandra, El-Nashar Heba A S, El-Shazly Mohamed, Islam Muhammad Torequl

机构信息

Department of Pharmacy, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh.

Bioluster Research Center, Dhaka, Bangladesh.

出版信息

Nat Prod Res. 2025 Mar;39(5):1241-1257. doi: 10.1080/14786419.2024.2340042. Epub 2024 Apr 16.

Abstract

Gigantol, a bibenzyl compound extracted from various medicinal plants, has shown a number of biological activities, making it an attractive candidate for potential medical applications. This systematic review aims to shed light on gigantol's promising role in inflammation treatment and its underlying mechanisms. Gigantol exhibits potential anti-inflammatory properties in pre-clinical pharmacological test systems. It effectively reduced the levels of pro-inflammatory markers and arachidonic acid metabolites through various pathways, such as NF-κB, AKT, PI3K, and JNK/cPLA2/12-LOX. The in-silico investigations demonstrated that the MMP-13 enzyme served as the most promising target for gigantol with highest binding affinity (docking score = -8.8 kcal/mol). Encouragingly, the absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis of gigantol confirmed its compatibility with the necessary physiochemical, pharmacokinetic, and toxicity properties, bolstering its potential as a drug candidate. Gigantol, with its well-documented anti-inflammatory properties, could be a promising agent for treating inflammation in the near future.

摘要

五味子醇甲是一种从多种药用植物中提取的联苄化合物,已显示出多种生物活性,使其成为潜在医学应用的有吸引力的候选物。本系统综述旨在阐明五味子醇甲在炎症治疗中的潜在作用及其潜在机制。五味子醇甲在临床前药理测试系统中表现出潜在的抗炎特性。它通过多种途径,如NF-κB、AKT、PI3K和JNK/cPLA2/12-LOX,有效降低促炎标志物和花生四烯酸代谢物的水平。计算机模拟研究表明,MMP-13酶是五味子醇甲最有前景的靶点,具有最高的结合亲和力(对接分数=-8.8 kcal/mol)。令人鼓舞的是,五味子醇甲的吸收、分布、代谢、排泄和毒性(ADMET)分析证实了它与必要的理化、药代动力学和毒性特性的兼容性,增强了其作为候选药物的潜力。五味子醇甲具有充分记录的抗炎特性,可能在不久的将来成为治疗炎症的有前景的药物。

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