Therapeutic drug combinations against COVID-19 obtained by employing a collaborative filtering method

The outbreak of coronavirus disease 2019 (COVID-19) has severely harmed human society and health. Because there is currently no specific drug for the treatment and prevention of COVID-19, we used a collaborative filtering algorithm to predict which traditional Chinese medicines (TCMs) would be effective in combination for the prevention and treatment of COVID-19. First, we performed drug screening based on the receptor structure prediction method, molecular docking using q-vina to measure the binding ability of TCMs, TCM formulas, and neo-coronavirus proteins, and then performed synergistic filtering based on Laplace matrix calculations to predict potentially effective TCM formulas. Combining the results of molecular docking and synergistic filtering, the new recommended formulas were analyzed by reviewing data platforms or tools such as PubMed, Herbnet, the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, the Guide to the Dispensing of Medicines for Clinical Evidence, and the Dictionary of Chinese Medicine Formulas, as well as medical experts' treatment consensus in terms of herbal efficacy, modern pharmacological studies, and clinical identification and typing of COVID-19 pneumonia, to determine the recommended solutions. We found that the therapeutic effect of a combination of six TCM formulas on the COVID-19 virus is the result of the overall effect of the formula rather than that of specific components of the formula. Based on this, we recommend a formula similar to that of Jinhua Qinggan Granules for the treatment of COVID-19 pneumonia. This study may provide new ideas and new methods for future clinical research. Classification Biological Science.

Therapeutic drug combinations against COVID-19 obtained by employing a collaborative filtering method.

The outbreak of coronavirus disease 2019 (COVID-19) has severely harmed human society and health. Because there is currently no specific drug for the treatment and prevention of COVID-19, we used a collaborative filtering algorithm to predict which traditional Chinese medicines (TCMs) would be effective in combination for the prevention and treatment of COVID-19. First, we performed drug screening based on the receptor structure prediction method, molecular docking using q-vina to measure the binding ability of TCMs, TCM formulas, and neo-coronavirus proteins, and then performed synergistic filtering based on Laplace matrix calculations to predict potentially effective TCM formulas. Combining the results of molecular docking and synergistic filtering, the new recommended formulas were analyzed by reviewing data platforms or tools such as PubMed, Herbnet, the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, the Guide to the Dispensing of Medicines for Clinical Evidence, and the Dictionary of Chinese Medicine Formulas, as well as medical experts' treatment consensus in terms of herbal efficacy, modern pharmacological studies, and clinical identification and typing of COVID-19 pneumonia, to determine the recommended solutions. We found that the therapeutic effect of a combination of six TCM formulas on the COVID-19 virus is the result of the overall effect of the formula rather than that of specific components of the formula. Based on this, we recommend a formula similar to that of Jinhua Qinggan Granules for the treatment of COVID-19 pneumonia. This study may provide new ideas and new methods for future clinical research. Classification: Biological Science.

Impacts of transportation and meteorological factors on the transmission of COVID-19.

The ongoing pandemic of 2019 novel coronavirus disease (COVID-19) is challenging global public health response system. We aim to identify the risk factors for the transmission of COVID-19 using data on mainland China. We estimated attack rate (AR) at county level. Logistic regression was used to explore the role of transportation in the nationwide spread. Generalized additive model and stratified linear mixed-effects model were developed to identify the effects of multiple meteorological factors on local transmission. The ARs in affected counties ranged from 0.6 to 9750.4 per million persons, with a median of 8.8. The counties being intersected by railways, freeways, national highways or having airports had significantly higher risk for COVID-19 with adjusted odds ratios (ORs) of 1.40 (p = 0.001), 2.07 (p < 0.001), 1.31 (p = 0.04), and 1.70 (p < 0.001), respectively. The higher AR of COVID-19 was significantly associated with lower average temperature, moderate cumulative precipitation and higher wind speed. Significant pairwise interactions were found among above three meteorological factors with higher risk of COVID-19 under low temperature and moderate precipitation. Warm areas can also be in higher risk of the disease with the increasing wind speed. In conclusion, transportation and meteorological factors may play important roles in the transmission of COVID-19 in mainland China, and could be integrated in consideration by public health alarm systems to better prevent the disease.