Nucleic acid aptamer generation and screening method and device, electronic equipment and program product

By using a trained model generation and screening system, and leveraging the three-dimensional structural information of the target protein and reference nucleic acid aptamers, high-affinity nucleic acid aptamers can be generated and screened efficiently. This solves the problems of long cycle time, high cost and low efficiency in existing technologies, and improves the binding specificity and efficiency of nucleic acid aptamers.

CN121963853APending Publication Date: 2026-05-01SHENZHEN UNIV
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Patent Information

Application Number
CN202511962892.8
Authority / Receiving Office
CN · China
Patent Type
Applications(China)
Current Assignee / Owner
Filing Date
2025-12-23
Publication Date
2026-05-01

AI Technical Summary

Technical Problem

Existing technologies are time-consuming, complex, costly, and inefficient in nucleic acid aptamer screening, making it difficult to cover the vast nucleic acid sequence space and resulting in the omission of high-affinity sequences.

Method used

By using a trained protein structure encoder, conditional diffusion model, nucleic acid encoder, and semantic space alignment module, high-affinity nucleic acid aptamers are generated and screened. The three-dimensional structural information of the target protein and the reference nucleic acid aptamer are used as guiding conditions, combined with the guiding strength coefficient, to conduct targeted exploration and optimization, thereby achieving efficient generation and screening.

Benefits of technology

This method enables efficient generation and screening of high-affinity nucleic acid aptamers, reducing the blind spots and workload of experimental screening, and improving the binding specificity and efficiency of the generated nucleic acid aptamers.

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Abstract

The invention is suitable for the technical field of deep learning, and provides a nucleic acid aptamer generation and screening method and device, electronic equipment and a program product. The method comprises the following steps: inputting a target protein into a protein structure encoder, and extracting a first protein feature of the target protein; inputting the guiding condition and the guiding intensity coefficient into a condition diffusion model to generate at least one candidate nucleic acid aptamer; inputting each candidate nucleic acid aptamer into a nucleic acid encoder, and extracting a first nucleic acid sequence feature of each candidate nucleic acid aptamer; inputting each first nucleic acid sequence feature and the first protein feature into a semantic space alignment module, and calculating a prediction score of each candidate nucleic acid aptamer; adding each candidate nucleic acid aptamer and the predicted score thereof into a nucleic acid candidate pool; and determining the candidate nucleic acid aptamer with the highest predicted score in the nucleic acid candidate pool as the nucleic acid aptamer with the optimal binding capacity with the target protein. According to the invention, efficient generation and screening of the high-affinity nucleic acid aptamer can be realized.
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