Title:
DRUG SCREENING METHOD AND SYSTEM
Document Type and Number:
WIPO Patent Application WO/2024/011837
Kind Code:
A1
Abstract:
The present invention relates to a drug screening method, comprising the steps of: a) collecting drug small molecule information of target protein inhibitory activity or in vivo activity, and processing the drug small molecule information to obtain a drug molecular structure; b) processing the obtained drug molecular structure, constructing a predictor by utilizing a multitask deep learning model, and predicting the inhibition of the drug on target protein and the effectiveness of the drug on disease treatment; and c) constructing a generator, training the drug molecular structure obtained in step a), passing the trained drug molecular structure through the predictor in step b) and obtaining feedback, respectively extracting molecular features of the drug for target protein inhibition and molecular features effective for disease treatment, combining two substructures having higher scores, further performing modification and optimization by means of a pre-trained encoder-decoder, and obtaining a new drug having both protein inhibition and in vivo activity. The present invention may greatly reduce the costs of drug research and development, and improve the efficiency of drug research and development.
Inventors:
HU FAN (CN)
YIN PENG (CN)
WANG DONGQI (CN)
HU YISHEN (CN)
YIN PENG (CN)
WANG DONGQI (CN)
HU YISHEN (CN)
Application Number:
PCT/CN2022/138206
Publication Date:
January 18, 2024
Filing Date:
December 09, 2022
Export Citation:
Assignee:
SHENZHEN INST ADV TECH (CN)
International Classes:
G16B40/00; G16B15/30
Domestic Patent References:
| WO2022043690A1 | 2022-03-03 |
Foreign References:
| CN115132270A | 2022-09-30 | |||
| CN114373520A | 2022-04-19 | |||
| CN111816252A | 2020-10-23 | |||
| US11049590B1 | 2021-06-29 |
Attorney, Agent or Firm:
BEIJING ZHONG XUN TONG DA INTELLECTUAL PROPERTY AGENCY CO., LTD. (CN)
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