Method for predicting combined chronic toxicity of antibiotic pollutant

Abstract

The invention discloses a method for predicting the combined chronic toxicity of an antibiotic pollutant. The method comprises the following steps: 1, acquiring physical and chemical parameters of an antibiotic; 2, acquiring an acceptor protein, constructing a homologous model of the acceptor protein, and determining the mutual binding energy between the antibiotic and the acceptor protein; 3, determining the combined toxicity of the antibiotic; 4, establishing a prediction model for the chronic combined toxicity on the basis of the physical and chemical parameters of the antibiotic, the mutual binding energy between the antibiotic and the acceptor protein and the combined toxicity of the antibiotic; and 5, predicting the combined toxicity of the antibiotic through the model obtained in step 4. The method of the invention, which has the advantages of wide application range, no need of complex detection equipment, no test and environment pollution, and accurate prediction of the toxicity of the antibiotic composite pollutant, provides the scientific basis for the antibiotic pollutant discharge enforcement and the ecological risk evaluation.

Description

technical field [0001] The invention belongs to the technical field of environmental pollution detection and relates to a method for predicting the joint toxicity of antibiotic pollutants by molecular simulation. Background technique [0002] Pollutants in the environment exist in a mixed form, rather than a single pollution; therefore, it is of great significance and value to predict joint toxicity. [0003] As a new type of pollutant, antibiotics have the following characteristics: 1) The continuous discharge of antibiotics in the environment leads to the characteristics of antibiotics as quasi-persistent pollutants. 2) Long-term exposure to antibiotics can easily lead to drug resistance in organisms and directly endanger human health. 3) Antibiotics have toxic effects on other beneficial organisms in the environment. Studies have shown that the presence of antibiotics leads to a significant decline in the degradation ability of sewage treatment microorganisms to polluta...

AI Technical Summary

Problems solved by technology

2) Long-term exposure to antibiotics can easily lead to drug resistance in organisms and directly endanger human health

3) Antibiotics have toxic effects on other beneficial organisms in the environment

[0006] (2) The common use of joint toxic antibiotics in medical treatment has led to the detection of multiple antibiotics in contaminated areas at the same time as the norm

[0007] However, the shortcomings of the current method are as follows: 1) lack of joint toxicity data, leading to the neglect of joint effects among pollutants in the toxicity evaluation process; 2) lack of chronic toxicity data, resulting in neglect of chronic effects in the toxicity evaluation process; 3) chronic toxicity The toxic method has defects such as time-consuming and labor-intensive, and requires a lot of manpower and material resources

Images