Genome-based solutions for managing mucormycosis.

3区 生物学 Q1 Biochemistry, Genetics and Molecular Biology Advances in protein chemistry and structural biology Pub Date : 2024-01-01 Epub Date: 2024-02-14 DOI:10.1016/bs.apcsb.2023.11.014
Ritu Tomer, Sumeet Patiyal, Dilraj Kaur, Shubham Choudhury, Gajendra P S Raghava
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Abstract

An uncommon opportunistic fungal infection known as mucormycosis is caused by a class of molds called mucoromycetes. Currently, antifungal therapy and surgical debridement are the primary treatment options for mucormycosis. Despite the importance of comprehensive knowledge on mucormycosis, there is a lack of well-annotated databases that provide all relevant information. In this study, we have gathered and organized all available information related to mucormycosis that include disease's genome, proteins, diagnostic methods. Furthermore, using the AlphaFold2.0 prediction tool, we have predicted the tertiary structures of potential drug targets. We have categorized the information into three major sections: "genomics/proteomics," "immunotherapy," and "drugs." The genomics/proteomics module contains information on different strains responsible for mucormycosis. The immunotherapy module includes putative sequence-based therapeutics predicted using established tools. Drugs module provides information on available drugs for treating the disease. Additionally, the drugs module also offers prerequisite information for designing computationally aided drugs, such as putative targets and predicted structures. In order to provide comprehensive information over internet, we developed a web-based platform MucormyDB (https://webs.iiitd.edu.in/raghava/mucormydb/).

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基于基因组的粘孢子虫病管理解决方案。
粘孢子菌病是一种不常见的机会性真菌感染,由一类叫做粘孢子菌的霉菌引起。目前,抗真菌治疗和手术清创是治疗粘孢子菌病的主要方法。尽管对粘孢子菌病的全面了解非常重要,但目前却缺乏能提供所有相关信息的注释清晰的数据库。在这项研究中,我们收集并整理了与粘孢子虫病有关的所有可用信息,包括疾病基因组、蛋白质和诊断方法。此外,我们还使用 AlphaFold2.0 预测工具预测了潜在药物靶点的三级结构。我们将信息分为三大部分:"基因组学/蛋白质组学"、"免疫疗法 "和 "药物"。基因组学/蛋白质组学模块包含导致粘孢子虫病的不同菌株的信息。免疫疗法模块包括利用现有工具预测的基于序列的假定疗法。药物模块提供治疗该疾病的现有药物信息。此外,药物模块还提供了设计计算辅助药物的前提信息,如假定靶点和预测结构。为了通过互联网提供全面的信息,我们开发了一个基于网络的平台 MucormyDB (https://webs.iiitd.edu.in/raghava/mucormydb/)。
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来源期刊
Advances in protein chemistry and structural biology
Advances in protein chemistry and structural biology BIOCHEMISTRY & MOLECULAR BIOLOGY-
CiteScore
7.40
自引率
0.00%
发文量
66
审稿时长
>12 weeks
期刊介绍: Published continuously since 1944, The Advances in Protein Chemistry and Structural Biology series has been the essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins. Each thematically organized volume is guest edited by leading experts in a broad range of protein-related topics.
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