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基于网络药理学和分子对接技术探讨柴石解毒颗粒治疗登革热的分子机制:综述

Molecular mechanism of ChaiShi JieDu granule in treating dengue based on network pharmacology and molecular docking: A review.

机构信息

Guangzhou Eighth People's Hospital, Guangzhou Medical University, Guangzhou, China.

出版信息

Medicine (Baltimore). 2023 Dec 29;102(52):e36773. doi: 10.1097/MD.0000000000036773.

Abstract

Dengue fever is a frequently occurring infectious disease caused by the Dengue virus, prevalent in tropical and subtropical regions. Chaishi Jiedu Granules (CSJD) is an empirical prescription of the Eighth Affiliated Hospital of Guangzhou Medical University in the treatment of dengue fever, which has been widely used in the treatment of dengue fever, and has shown good efficacy in improving the clinical symptoms of patients. This study aims to explore the molecular mechanism of CSJD in treating dengue fever using network pharmacology, molecular docking techniques, and virtual screening methods. The results showed that luteolin, quercetin and other compounds in CSJD could target important targets related to dengue virus, including STAT3, AKT1, TNF, IL-6, and other key genes, thus playing an antiviral role. Among them, luteolin and wogonin in CSJD also inhibited dengue virus replication and reduced inflammation, and showed good binding force with IL-6 and TNF. Therefore, this study provides an important reference for the development of CSJD as a potential drug for dengue fever treatment and a new perspective for research and development in this field.

摘要

登革热是一种由登革病毒引起的传染病,常见于热带和亚热带地区。柴石解毒颗粒(CSJD)是广州医科大学第八附属医院治疗登革热的经验方,广泛应用于登革热的治疗,在改善患者临床症状方面显示出良好的疗效。本研究旨在利用网络药理学、分子对接技术和虚拟筛选方法探索 CSJD 治疗登革热的分子机制。结果表明,CSJD 中的木犀草素、槲皮素等化合物可以靶向与登革病毒相关的重要靶点,包括 STAT3、AKT1、TNF、IL-6 等关键基因,从而发挥抗病毒作用。其中,CSJD 中的木犀草素和白杨素还抑制登革病毒复制,减轻炎症反应,与 IL-6 和 TNF 具有良好的结合力。因此,本研究为 CSJD 作为一种治疗登革热的潜在药物的开发提供了重要参考,为该领域的研究和开发提供了新的视角。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4d48/10754559/22a9ad7cba09/medi-102-e36773-g001.jpg

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