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基于本体的副作用预测框架(OSPF)和深度学习评估中国官方推荐用于 COVID-19 的中药。

Evaluating the Traditional Chinese Medicine (TCM) Officially Recommended in China for COVID-19 Using Ontology-Based Side-Effect Prediction Framework (OSPF) and Deep Learning.

机构信息

School of Information and Software Engineering, University of Electronic Science and Technology of China, Chengdu, 610054, People's Republic of China; School of Electrical Engineering and Telecommunications, The University of New South Wales, Sydney, New South Wales, 2052, Australia.

School of Information and Software Engineering, University of Electronic Science and Technology of China, Chengdu, 610054, People's Republic of China.

出版信息

J Ethnopharmacol. 2021 May 23;272:113957. doi: 10.1016/j.jep.2021.113957. Epub 2021 Feb 22.

Abstract

ETHNOPHARMACOLOGICAL RELEVANCE

The novel coronavirus disease (COVID-19) outbreak in Wuhan has imposed a huge influence in terms of public health and economy on society. However, no effective drugs or vaccines have been developed so far. Traditional Chinese Medicine (TCM) has been considered as a promising supplementary treatment of this disease due to its clinically proven performance in many severe diseases, like severe acute respiratory syndrome (SARS). Meanwhile, many reports suggest that the side-effects (SE) of TCM prescriptions cannot be ignored in treating COVID-19 as it often leads to dramatic degradation of the patients' physical condition. Systematic evaluation of TCM regarding its latent SE becomes a burning issue.

AIM

In this study, we used an ontology-based side-effect prediction framework (OSPF) developed from our previous work and Artificial Neural Network (ANN)-based deep learning, to evaluate the TCM prescriptions officially recommended by China for the treatment of COVID-19.

MATERIALS AND METHODS

The OSPF developed from our previous work was implemented in this study, where an ontology-based model separated all ingredients in a TCM prescription into two categories: hot and cold. A database was created by converting each TCM prescription into a vector which contained ingredient dosages, corresponding hot/cold attribution and safe/unsafe labels. This allowed for training of the ANN model. A safety indicator (SI), as a complement to SE possibility, was then assigned to each TCM prescription. According to the proposed SI, from high to low, the recommended prescription list could be optimized. Furthermore, in interest of expanding the potential treatment options, SIs of other well-known TCM prescriptions, which are not included in the recommended list but are used traditionally to cure flu-like diseases, are also evaluated via this method.

RESULTS

Based on SI, QFPD-T, HSBD-F, PMSP, GCT-CJ, SF-ZSY, and HSYF-F were the safest treatments in the recommended list, with SI scores over 0.8. PESP, QYLX-F, JHQG-KL, SFJD-JN, SHL-KFY, PESP1, XBJ-ZSY, HSZF-F, PSSP2, FFTS-W, and NHSQ-W were the prescriptions most likely to be unsafe, with SI scores below 0.1. In the additional lists of other TCM prescriptions, the indicators of XC-T, SQRS-S, CC-J, and XFBD-F were all above 0.8, while QF-Y, XZXS-S, BJ-S, KBD-CJ, and QWJD-T's indicators were all below 0.1.

CONCLUSIONS

In total, there were 10 TCM prescriptions with indicators over 0.8, suggesting that they could be considered in treating COVID-19, if suitable. We believe this work could provide reasonable suggestions for choosing proper TCM prescriptions as a supplementary treatment for COVID-19. Furthermore, this work introduces a novel and informative method which could help create recommendation list of TCM prescriptions for the treatment of other diseases.

摘要

民族药理学相关性

武汉爆发的新型冠状病毒病(COVID-19)在公共卫生和经济方面对社会造成了巨大影响。然而,到目前为止,还没有开发出有效的药物或疫苗。由于在许多严重疾病(如严重急性呼吸系统综合症(SARS))中具有临床疗效,因此中医(TCM)被认为是该病的一种有希望的辅助治疗方法。同时,许多报告表明,在治疗 COVID-19 时,中药处方的副作用(SE)不容忽视,因为它常常导致患者身体状况急剧恶化。系统评估中医的潜在 SE 已成为一个紧迫的问题。

目的

在这项研究中,我们使用了我们以前的工作中开发的基于本体的副作用预测框架(OSPF)和基于人工神经网络(ANN)的深度学习,来评估中国官方推荐用于治疗 COVID-19 的中药处方。

材料与方法

我们以前的工作中开发的 OSPF 用于这项研究,其中基于本体的模型将中药处方中的所有成分分为两类:热和冷。通过将每个中药处方转换为一个向量来创建一个数据库,该向量包含成分剂量,相应的冷热属性以及安全/不安全标签。这允许对 ANN 模型进行训练。然后,为每个中药处方分配一个安全指标(SI),作为 SE 可能性的补充。根据提出的 SI,从高到低,推荐的处方清单可以进行优化。此外,为了扩大潜在的治疗选择范围,我们还通过这种方法评估了其他未包含在推荐清单中但传统上用于治疗流感样疾病的知名中药处方的 SI。

结果

根据 SI,QFPD-T、HSBD-F、PMSP、GCT-CJ、SF-ZSY 和 HSYF-F 是推荐清单中最安全的治疗方法,SI 得分均超过 0.8。PESP、QYQX-F、JHQG-KL、SFJD-JN、SHL-KFY、PESP1、XBJ-ZSY、HSZF-F、PSSP2、FFTS-W 和 NHSQ-W 是最不安全的处方,SI 得分均低于 0.1。在其他中药处方的附加清单中,XC-T、SQRS-S、CC-J 和 XFBD-F 的指标均高于 0.8,而 QF-Y、XZXS-S、BJ-S、KBD-CJ 和 QWJD-T 的指标均低于 0.1。

结论

共有 10 种中药处方的指标超过 0.8,这表明如果合适,它们可以用于治疗 COVID-19。我们相信这项工作可以为选择合适的中药处方作为 COVID-19 的辅助治疗提供合理的建议。此外,这项工作引入了一种新颖而有信息量的方法,可以帮助创建治疗其他疾病的中药处方推荐清单。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6665/7899032/7e336d609cac/fx1_lrg.jpg

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