AVPCD: 一种以植物为基础的药物数据库,用于癌症、新冠肺炎、疟疾和HIV的抗病毒植物化合物的研究。
AVPCD: a plant-derived medicine database of antiviral phytochemicals for cancer, Covid-19, malaria and HIV.
发表日期:2023 Aug 18
作者:
Shahid Ullah, Wajeeha Rahman, Farhan Ullah, Anees Ullah, Gulzar Ahmad, Muhammad Ijaz, Hameed Ullah, Zilong Zheng, Tianshun Gao
来源:
Database-Oxford
摘要:
严重的由病毒引起的疾病正成为世界上最重要的公共卫生问题,每年导致数百万人死亡。成千上万项研究证实了植物来源药物在治疗病毒性疾病患者中具有积极的疗效。由于数千种抗病毒植物化合物在医学研究中被确认为救命药物,高度期望建立一个综合性的数据库,将药用植物与其不同的药用性能整合起来。因此,我们提供了一个友好的抗病毒植物化合物数据库(AVPCD),其中包含来自383种药用化合物和319个不同科属的2537种抗病毒植物化合物的信息。该数据库注明了这些植物化合物的科学名、家族名和常用名,以及使用的植物部位、疾病信息、活性化合物和相关COVID-19、癌症、HIV和疟疾文章的链接。此外,AVPCD中的每个化合物都有其2D和3D结构、分子式、分子量、同分异构的SMILES表示法、InChI、InChI Key和IUPAC命名法等21个其他性质的注释。每个化合物都注明了超过20个性质。具体而言,我们设计了一个评分方法来衡量每个植物化合物在对抗病毒疾病方面的可信度。此外,我们还构建了一个用户友好的平台,提供了几个强大的模块,用于搜索和浏览所有植物化合物的详细信息。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人员获取有关对抗病毒疾病的有用信息。© 作者2023年。由牛津大学出版社出版。
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.© The Author(s) 2023. Published by Oxford University Press.