TCM@MPXV: A Resource for Treating Monkeypox Patients in Traditional Chinese Medicine

IF 2.4 3区生物学 Q3 BIOCHEMICAL RESEARCH METHODS Current Bioinformatics Pub Date : 2024-08-02 DOI:10.2174/0115748936299878240723044438

Xin Zhang, Feiran Zhou, Pinglu Zhang, Quan Zou, Ying Zhang

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Abstract

Introduction: Traditional Chinese Medicine (TCM) has been extensively employed in the treatment of Monkeypox Virus (MPXV) infections, and it has historically played a significant role in combating diseases like contagious pox-like viral diseases in China. Method: Various traditional Chinese medicine (TCM) therapies have been recommended for patients with monkeypox virus (MPXV). However, as far as we know, there is no comprehensive database dedicated to preserving and coordinating TCM remedies for combating MPXV. To address this gap, we introduce TCM@MPXV, a carefully curated repository of research materials focusing on formulations with anti-MPXV properties. Importantly, TCM@MPXV extends its scope beyond herbal remedies, encompassing mineral-based medicines as well. Result: The current iteration of TCM@MPXV boasts an impressive array of features, including (1) Documenting over 42 types of TCM herbs, with more than 27 unique herbs; (2) Recording over 285 bioactivity compounds within these herbs; (3) Launching a user-friendly web server for the docking, analysis, and visualization of 2D or 3D molecular structures; and (4) Providing 3D structures of druggable proteins of MPXV. Conclusion: To summarize, TCM@MPXV presents a user-friendly and effective platform for recording, querying, and viewing anti-MPXV TCM resources and will contribute to the development and explanation of novel anti-MPXV mechanisms of action to aid in the ongoing battle against monkeypox. TCM@MPXV is accessible for academic use at http://101.34.238.132:5000/.

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TCM@MPXV：猴痘患者的中医治疗资源

导言：中医药在治疗猴痘病毒（MPXV）感染方面有着广泛的应用，在中国历史上，中医药在防治传染性痘样病毒病等疾病方面发挥了重要作用。方法：对于猴痘病毒（MPXV）患者，人们推荐了各种传统中医疗法。然而，据我们所知，目前还没有一个专门用于保存和协调防治猴痘病毒的中医药疗法的综合数据库。为了填补这一空白，我们推出了 TCM@MPXV，这是一个经过精心策划的研究资料库，重点关注具有抗 MPXV 特性的配方。重要的是，TCM@MPXV 的研究范围超出了中草药，还包括以矿物质为基础的药物。成果：目前的 TCM@MPXV 具有一系列令人印象深刻的功能，包括：（1）记录了超过 42 种中草药，其中有超过 27 种独特的中草药；（2）记录了这些中草药中超过 285 种具有生物活性的化合物；（3）推出了一个用户友好型网络服务器，用于对接、分析和可视化二维或三维分子结构；以及（4）提供 MPXV 可药用蛋白质的三维结构。结论总之，TCM@MPXV 为记录、查询和查看抗 MPXV 中药资源提供了一个用户友好型的有效平台，并将有助于开发和解释新型抗 MPXV 作用机制，从而为正在进行的猴痘防治工作提供帮助。TCM@MPXV 可在 http://101.34.238.132:5000/ 网站上供学术界使用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Current Bioinformatics 生物-生化研究方法

CiteScore

6.60

自引率

2.50%

发文量

审稿时长

>12 weeks

期刊介绍： Current Bioinformatics aims to publish all the latest and outstanding developments in bioinformatics. Each issue contains a series of timely, in-depth/mini-reviews, research papers and guest edited thematic issues written by leaders in the field, covering a wide range of the integration of biology with computer and information science. The journal focuses on advances in computational molecular/structural biology, encompassing areas such as computing in biomedicine and genomics, computational proteomics and systems biology, and metabolic pathway engineering. Developments in these fields have direct implications on key issues related to health care, medicine, genetic disorders, development of agricultural products, renewable energy, environmental protection, etc.