DrugVirus.info 2.0：广谱抗病毒药物 (BSA) 和含 BSA 药物组合 (BCC) 的综合数据门户。

DrugVirus.info 2.0: an integrative data portal for broad-spectrum antivirals (BSA) and BSA-containing drug combinations (BCCs).

机构信息

Department of Clinical and Molecular Medicine (IKOM), Norwegian University of Science and Technology (NTNU), 7028 Trondheim, Norway.

Institute of Technology, University of Tartu, 50411 Tartu, Estonia.

出版信息

Nucleic Acids Res. 2022 Jul 5;50(W1):W272-W275. doi: 10.1093/nar/gkac348.

DOI:10.1093/nar/gkac348

PMID:35610052

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9252782/

Abstract

Viruses can cross species barriers and cause unpredictable outbreaks in man with substantial economic and public health burdens. Broad-spectrum antivirals, (BSAs, compounds inhibiting several human viruses), and BSA-containing drug combinations (BCCs) are deemed as immediate therapeutic options that fill the void between virus identification and vaccine development. Here, we present DrugVirus.info 2.0 (https://drugvirus.info), an integrative interactive portal for exploration and analysis of BSAs and BCCs, that greatly expands the database and functionality of DrugVirus.info 1.0 webserver. Through the data portal that now expands the spectrum of BSAs and provides information on BCCs, we developed two modules for (i) interactive analysis of users' own antiviral drug and combination screening data and their comparison with published datasets, and (ii) exploration of the structure-activity relationship between various BSAs. The updated portal provides an essential toolbox for antiviral drug development and repurposing applications aiming to identify existing and novel treatments of emerging and re-emerging viral threats.

摘要

病毒可以跨越物种屏障，在人类中引发不可预测的爆发，给经济和公共卫生带来重大负担。广谱抗病毒药物（BSA，抑制多种人类病毒的化合物）和包含 BSA 的药物组合（BCC）被认为是填补病毒鉴定和疫苗开发之间空白的直接治疗选择。在这里，我们展示了 DrugVirus.info 2.0（https://drugvirus.info），这是一个用于探索和分析 BSAs 和 BCC 的综合交互式门户，它大大扩展了 DrugVirus.info 1.0 网络服务器的数据库和功能。通过现在扩展了 BSA 光谱并提供了有关 BCC 的信息的数据门户，我们开发了两个模块，用于（i）交互式分析用户自己的抗病毒药物和组合筛选数据，并将其与已发表的数据集进行比较，以及（ii）探索各种 BSAs 之间的结构-活性关系。更新后的门户为抗病毒药物开发和重新利用应用提供了一个重要的工具箱，旨在确定新兴和重新出现的病毒威胁的现有和新的治疗方法。