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来自[具体来源未给出]的新型辛酰四糖苷和脂肪族酯成分的结构、生物学及计算机模拟分析为疼痛和炎症治疗提供了新视角。

The Structural, Biological, and In-Silico Profiling of Novel Capryloyl Tetra-Glucoside and Aliphatic Ester Constituents from the Offers New Perspectives on the Treatment of Pain and Inflammation.

作者信息

Wahab Shadma, Alsayari Abdulrhman, Muhsinah Abdullatif Bin, Almaghaslah Dalia, Haque Anzarul, Khalid Mohammad, Alnasser Sulaiman Mohammed, Azam Faizul, Hussain Md Sarfaraj

机构信息

Department of Pharmacognosy, College of Pharmacy, King Khalid University, Abha 61421, Saudi Arabia.

Complementary and Alternative Medicine Unit, College of Pharmacy, King Khalid University, Abha 61421, Saudi Arabia.

出版信息

Plants (Basel). 2022 Sep 30;11(19):2583. doi: 10.3390/plants11192583.

DOI:10.3390/plants11192583
PMID:36235451
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9570646/
Abstract

(Malvaceae), more often referred to as Peeli booti, Kanghi, and Kakhi, is a perennial shrub found in many countries of Asia. Traditionally, this plant is used as a diuretic to treat inflammation, discomfort, urethral infections, and gout. Inflammation and pain are key topics of interest for researchers throughout the globe, since they are linked to almost every illness that could affect humans or animals. The present study was conducted to isolate the phytoconstituents from the methanolic extract of collected from the Bihar state Koshi river belt in India, and to evaluate the isolated phytoconstituents' ability to reduce nociception and inflammation. Furthermore, molecular docking was performed to investigate the molecular interaction profile, with possible therapeutic targets for anti-inflammatory medicines. methanolic extract yielded two novel phytocompounds identified as 5'-hydroxyhexyl n-hexadecanoate (AB-01) and n-octanoyl-β-D-glucopyranosyl-(2'-1'')-β-D-glucopyranosyl-(2''-1''')-β-D-glucopyranosyl-(2'''-1'''')-β-D-glucopyranoside (AB-05), together with three previously recognized phytocompounds such as ester glucoside. All isolated molecules were tested for the efficacy of analgesic and anti-inflammatory characteristics at doses of 5 and 10 mg/kg body weight. The isolated compound's molecular interaction profile with anti-inflammatory drug targets cyclooxygenase-2 and tumor necrosis factor-alpha possessed high potential energy in molecular docking. These findings may aid in developing anti-inflammatory and analgesic drugs from

摘要

锦葵科植物,通常被称为Peeli booti、Kanghi和Kakhi,是一种多年生灌木,在亚洲许多国家都有发现。传统上,这种植物被用作利尿剂来治疗炎症、不适、尿道感染和痛风。炎症和疼痛是全球研究人员关注的关键主题,因为它们与几乎所有可能影响人类或动物的疾病都有关联。本研究旨在从印度比哈尔邦科西河带采集的植物甲醇提取物中分离植物成分,并评估分离出的植物成分减轻伤害感受和炎症的能力。此外,还进行了分子对接,以研究分子相互作用概况以及抗炎药物可能的治疗靶点。甲醇提取物产生了两种新的植物化合物,分别鉴定为5'-羟基己基正十六烷酸酯(AB-01)和正辛酰基-β-D-吡喃葡萄糖基-(2'-1'')-β-D-吡喃葡萄糖基-(2''-1''')-β-D-吡喃葡萄糖基-(2'''-1'''')-β-D-吡喃葡萄糖苷(AB-05),以及三种先前已识别的植物化合物,如酯糖苷。所有分离出的分子都在5和10毫克/千克体重的剂量下测试了镇痛和抗炎特性的功效。在分子对接中,分离出的化合物与抗炎药物靶点环氧化酶-2和肿瘤坏死因子-α的分子相互作用概况具有高势能。这些发现可能有助于从……开发抗炎和镇痛药物

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a38/9570646/f8b84a7b359d/plants-11-02583-sch005.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a38/9570646/1797b4756a2e/plants-11-02583-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a38/9570646/863a817fe66a/plants-11-02583-sch002.jpg
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