The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Feb. 25, 2025

Filed:

Dec. 15, 2019
Applicant:

Nanjing University, Nanjing, CN;

Inventors:

Wei Shi, Nanjing, CN;

Haoyue Tan, Nanjing, CN;

Qinchang Chen, Nanjing, CN;

Hongxia Yu, Nanjing, CN;

Assignee:

Nanjing University, Nanjing, CN;

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06N 5/025 (2023.01); C07K 14/705 (2006.01); G06F 17/18 (2006.01); G16C 20/30 (2019.01); G16C 20/40 (2019.01); G16C 20/70 (2019.01); G16C 60/00 (2019.01); C02F 101/30 (2006.01);
U.S. Cl.
CPC ...
G16C 20/40 (2019.02); C07K 14/70571 (2013.01); G06F 17/18 (2013.01); G06N 5/025 (2013.01); G16C 20/30 (2019.02); G16C 20/70 (2019.02); G16C 60/00 (2019.02); C02F 2101/305 (2013.01);
Abstract

The present invention provides a model for high-throughput screening of endocrine disruptors and a method for screening the same. In the present invention, primary structural alerts, secondary structural alerts and tertiary structural alerts of compounds are extracted according to a nuclear receptor, and then the primary structural alerts, the secondary structural alerts and the tertiary structural alerts form a nuclear receptor high-throughput screening model; hierarchical structural alert matching is carried out on target compounds through the nuclear receptor high-throughput screening model, and ligand-receptor binding mode analysis and semi-quantitative prediction of binding activity and disrupting activity are performed. According to the present invention, the defect in prior art that potential nuclear receptor-mediated endocrine disruptors cannot be effectively screened in high throughput is overcome, high-throughput screening of potential nuclear receptor-mediated endocrine disruptors can be performed, and receptor competitive activity and A-Anta activity of the nuclear receptor-mediated endocrine disruptors can be determined.


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