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AVPCD:一个植物源抗病毒化合物的药用数据库,用于治疗癌症、Covid-19、疟疾和 HIV。

AVPCD: a plant-derived medicine database of antiviral phytochemicals for cancer, Covid-19, malaria and HIV.

机构信息

S Khan Lab Mardan, Khyber Pakhtunkhwa, Takhtbhai, KP 23200, Pakistan.

Big Data Center, The Seventh Affiliated Hospital of Sun Yat-sen University, Shenzhen 518107, P. R. China.

出版信息

Database (Oxford). 2023 Aug 18;2023. doi: 10.1093/database/baad056.

Abstract

Serious illnesses caused by viruses are becoming the world's most critical public health issues and lead millions of deaths each year in the world. Thousands of studies confirmed that the plant-derived medicines could play positive therapeutic effects on the patients with viral diseases. Since thousands of antiviral phytochemicals have been identified as lifesaving drugs in medical research, a comprehensive database is highly desirable to integrate the medicinal plants with their different medicinal properties. Therefore, we provided a friendly antiviral phytochemical database AVPCD covering 2537 antiviral phytochemicals from 383 medicinal compounds and 319 different families with annotation of their scientific, family and common names, along with the parts used, disease information, active compounds, links of relevant articles for COVID-19, cancer, HIV and malaria. Furthermore, each compound in AVPCD was annotated with its 2D and 3D structure, molecular formula, molecular weight, isomeric SMILES, InChI, InChI Key and IUPAC name and 21 other properties. Each compound was annotated with more than 20 properties. Specifically, a scoring method was designed to measure the confidence of each phytochemical for the viral diseases. In addition, we constructed a user-friendly platform with several powerful modules for searching and browsing the details of all phytochemicals. We believe this database will facilitate global researchers, drug developers and health practitioners in obtaining useful information against viral diseases.

摘要

由病毒引起的严重疾病正成为全球最严重的公共卫生问题,每年在全球导致数百万人死亡。数千项研究证实,植物来源的药物对病毒疾病患者具有积极的治疗作用。由于在医学研究中已经确定了数千种抗病毒植物化学物质是救命药物,因此非常需要一个综合数据库来整合具有不同药用特性的药用植物。因此,我们提供了一个友好的抗病毒植物化学数据库 AVPCD,其中包含了 2537 种来自 383 种药用化合物和 319 种不同科的抗病毒植物化学物质,并对其科学名称、科名和通用名称,以及使用部位、疾病信息、活性化合物、与 COVID-19、癌症、艾滋病毒和疟疾相关的文章链接进行了注释。此外,AVPCD 中的每个化合物都被注释了其 2D 和 3D 结构、分子式、分子量、异构体 SMILES、InChI、InChIKey 和 IUPAC 名称以及其他 21 种性质。每个化合物都被注释了 20 多种性质。具体来说,我们设计了一种评分方法来衡量每种植物化学物质对病毒疾病的可信度。此外,我们构建了一个用户友好的平台,其中包含几个强大的模块,用于搜索和浏览所有植物化学物质的详细信息。我们相信这个数据库将有助于全球研究人员、药物开发者和卫生从业者获取对抗病毒疾病的有用信息。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ef3/10437090/824fff6f534d/baad056f1.jpg

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