A method for predicting the interaction affinity of biomarker p53 with organophosphate flame retardants

An organic phosphate and biomarker technology, which is applied in special data processing applications, instruments, electrical digital data processing, etc., can solve problems such as inability to meet environmental supervision, and achieve easy understanding and practical application, good goodness of fit, The effect of strong transparency
CN103971030BActive Publication Date: 2017-01-11YANTAI INST OF COASTAL ZONE RES CHINESE ACAD OF SCI
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Patent Information

Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
YANTAI INST OF COASTAL ZONE RES CHINESE ACAD OF SCI
Publication Date
2017-01-11

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Abstract

The invention relates to a method for predicting affinity of the interaction between a biomarker p53 and an organic phosphate fire retardant. The method includes the following steps of establishing a quantitative structure-activity relationship QSAR model of the affinity KD and training set compound molecule descriptors through a partial least square method so as to obtain an affinity KD value, and predicting the affinity according to the affinity KD value. By the adoption of the method, interaction between the organic phosphate fire retardant and the biomarker p53 which are of different structures can be predicted, the method is low in cost and easy, convenient and rapid to achieve, and a large amount of labor, a large number of expenses and a large amount of time which are needed by experimental tests can be saved; the prediction result obtained through the method can provide the important data support for organic chemical ecological risk assessment and management, and the method has important theoretical and practical significance.
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Description

technical field

[0001] The invention relates to a method for predicting the interaction affinity between a biomarker p53 and an organic phosphate flame retardant, and belongs to the field of testing strategies for ecological risk assessment. Background technique

[0002] With the enhancement of people's awareness of fire prevention, the demand for flame retardants has risen sharply. Organophosphate flame retardants (OPFRs) are a class of commonly used phosphorus-based flame retardants, which are widely used in building materials, textiles, chemicals, and electronics industries. As brominated flame retardants are gradually banned worldwide, the production and use of OPFRs flame retardants as their main substitutes have increased significantly. Because they are additive flame retardants, OPFRs released into the environment will inevitably produce a series of ecological risks, and the environmental problems caused by them are gradually attracting the attention of researchers. ...

Claims

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