Method and system for recommending traditional Chinese medicine prescriptions for novel coronavirus based on collaborative filtering

Abstract

The invention discloses a novel coronavirus traditional Chinese medicine prescription recommendation method and system based on collaborative filtering, including: obtaining the compound of three medicines and three traditional Chinese medicines, molecularly docking the compound with the new coronavirus protein, and obtaining the binding affinity between the compound and the protein; screening based on ADME , Combining affinity and compound free energy docking threshold to screen compounds to obtain effective compounds; obtain molecular fingerprints of traditional Chinese medicines according to the molecular fingerprints of effective compounds contained in traditional Chinese medicines, and construct traditional Chinese medicine-Chinese medicine similarity matrix according to molecular fingerprints of traditional Chinese medicines and efficacy traits of traditional Chinese medicines; Based on the traditional Chinese medicine-Chinese medicine similarity matrix and the collaborative filtering algorithm, the candidate Chinese medicines were screened, and the recommended prescriptions of Chinese medicines were obtained. Molecular docking of the three-drug and three-prescription Chinese medicine compound and the new crown protein was carried out to measure the binding ability of the traditional Chinese medicine and the traditional Chinese medicine prescription and the new crown protein. At the same time, the recommendation of the traditional Chinese medicine prescription was made based on the collaborative filtering algorithm, and the effectiveness of the Chinese medicine prescription for the treatment of the new crown virus was verified.

Description

technical field [0001] The invention relates to the technical field of drug recommendation, in particular to a method and system for recommending traditional Chinese medicine prescriptions for novel coronaviruses based on collaborative filtering. Background technique [0002] The statements in this section merely provide background information related to the present invention and do not necessarily constitute prior art. [0003] At present, there are still no specific drugs that can achieve effective efficacy in the treatment of new coronary pneumonia. Although some studies have shown that chloroquine, remdesivir, etc. have certain curative effects, for example, articles about chloroquine published by Zhong Nanshan and others show that it can effectively reduce the infection time; experiments on remdesivir in the treatment of rhesus monkeys with new crown infection show that after remdesivir The viral load in the lungs of Wei-treated animals was significantly reduced, and t...

AI Technical Summary

Problems solved by technology

However, it is still impossible to know whether the therapeutic effect is due to the main drug in the prescription, or whether the main components of the main drug play a therapeutic role or the overall effect of the prescription. In addition, since there is no specific therapeutic drug for Western medicine, it has great influence on the treatment and suppression of new crowns. Limitations, for traditional Chinese medicine prescriptions, use virtual screening to measure the ability of the drug and the new crown protein to verify the effect of the three medicines and three prescriptions on the new crown, and clarify the role of traditional Chinese medicine in the treatment of this new crown pneumonia

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