热带孔菌冷水提取物的抗氧化活性、总萜含量及潜在神经保护化合物的硅评价。

IF 1.4
Kwang-Yui Liew, Mohammad Saad Umar Ibne Zaaki Aumeeruddy, Neng-Yao Goh, Boon Hong Kong, Yin-Quan Tang, Szu-Ting Ng, Chon-Seng Tan, Shin Yee Fung
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摘要

linteus(原Phellinus linteus)是一种药用真菌,因其治疗特性在中国,韩国和日本使用。本研究评价了黄颡鱼(T. linteus)品种SH02冷水提取物(xSHTM)的抗氧化能力及其萜类含量。通过SwissADME和分子对接的药代动力学预测,探讨了羊蹄草中生物活性化合物治疗阿尔茨海默病(AD)的潜力。xSHTM具有较高的超氧阴离子清除能力(以trolox当量(35.10±2.58)mmol/g表示),萜类含量为490.12±31.51 mg LE/g提取物。根据PubChem,使用SwissADME筛选T. linteus中含有的所有68种化合物,以确定其药代动力学性质。根据9种生物活性化合物的胃肠道吸收、亲脂性、水溶性、违反Lipinski规则和穿越血脑屏障(BBB)的能力,对常见的AD治疗靶点乙酰胆碱酯酶(AChE)和β分泌酶(BACE1)进行分子对接,筛选出4种具有高结合亲和力(以Kcal/mol表示)的活性化合物。与AChE对接时,Phellilin B和phellilane L的结合亲和度分别为-8.8和-8.0,与BACE1对接时,phellinulin L、phellinulin K和phellinb的结合亲和度分别为-7.4、-7.3和-7.1。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Antioxidant Activity and Total Terpenoid Content of Tropicoporus linteus Cultivar (Agaricomycetes) Cold Water Extract and In Silico Assessment of Potential Neuroprotective Compounds.

Tropicoporus linteus (formerly Phellinus linteus) is a medicinal fungus used in China, Korea and Japan for its therapeutic properties. This study assessed the antioxidant capabilities of cold-water extract (xSHTM) from a T. linteus cultivar (SH02), and its terpenoid content. The potential of bioactive compounds in T. linteus as treatment against Alzheimer's disease (AD) was also explored with pharmacokinetic prediction via SwissADME and molecular docking. xSHTM is found to have high superoxide anion scavenging capability (expressed as trolox equivalents (35.10 ± 2.58) mmol/g), and its terpenoid content is expressed as 490.12 ± 31.51 mg LE/g of extract. SwissADME was used to screen all 68 of the compounds contained in T. linteus according to PubChem to identify their pharmacokinetic properties. Nine bioactive compounds are selected based on their gastrointestinal absorption, lipophilicity, water solubility, violation of Lipinski's rule, and the ability to cross the blood-brain barrier (BBB) to proceed with molecular docking against common AD treatment targets, acetylcholinesterase (AChE) and β-secretase (BACE1), which revealed 4 compounds with high binding affinity (expressed as Kcal/mol). Phellilin B and phellilane L showed binding affinities of -8.8 and -8.0, respectively, when docked against AChE, while phellinulin L, phellinulin K and phellilin B showed binding affinities of -7.4, -7.3 and -7.1 respectively when docked against BACE1.

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