Method for screening pharmaceutically active compounds from traditional Chinese medicines and acting agent

Abstract

The invention provides a method for screening pharmaceutically active compounds from traditional Chinese medicines and an acting agent. The method comprises the following steps: determining a key signal pathway related to diseases, enabling different traditional Chinese medicine extracts to act on cell lines related to the diseases, and quantitatively analyzing the change condition of a transcription spectrum in cells based on a characteristic gene expression profile, so as to determine the adjusting effect of the different traditional Chinese medicine extracts on the key signal pathway, and selecting traditional Chinese medicines which have effects on the key signal pathway related to the diseases; collecting component compounds of the traditional Chinese medicines from different traditional Chinese medicine databases, and screening potential active compounds from the component compounds according to oral bioavailability and medicine similarity; screening a medicine target which can be used as a medicine effect in the key signal pathway; and further screening the potential active compounds by utilizing the medicine target to obtain the pharmaceutically active compounds. The methodprovided by the invention is a method for screening medicines or small molecular compounds on a large scale on a transcription level by combining a high-throughput medicine screening platform and a second-generation sequencing technology with molecular docking and molecular dynamics simulation, is high in screening efficiency, and provides a new idea for medicine screening.

Description

technical field [0001] The invention relates to the field of traditional Chinese medicines, in particular to a method and agent for screening medicinal active compounds from traditional Chinese medicines. Background technique [0002] The new crown pneumonia (COVID-19) has become a major global epidemic, threatening people's mental and physical health, and has also had a very significant impact on the economy, education and medical care of various countries. It is characterized by strong infectivity and high morbidity, and the main clinical symptoms are fever, cough and dyspnea. [0003] It is generally believed that the rapid deterioration of the condition of patients with new coronary pneumonia is closely related to the cytokine storm. In most patients with severe infection, lymphocytes are reduced, while levels of pro-inflammatory cytokines such as IL-6 and TNF-α are significantly increased. Cytokine storms can lead to tissue damage and even multi-organ failure due to a...

AI Technical Summary

Problems solved by technology

The current throughput is small, the efficiency is low, and the efficacy of several traditional Chinese medicines can only be tested at a time; the workload is large, time-consuming, and multiple experiments are required for evaluation; the cost is high, a large number of repeated experiments are required, and the experimental materials are expensive; A large amount of test samples is required; large differences between samples

In addition, microarray chips are difficult to customize, one chip can only measure a small number of samples, and the cost is high, which is not suitable for high-throughput detection of characteristic gene expression profiles.

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