Related Experiment Video
Updated: Sep 9, 2026

Protein Target Prediction and Validation of Small Molecule Compound
Published on: February 23, 2024
Artificial intelligence-enabled induced-proximity drug discovery: Designing productive molecular associations
Haomin Wu1, Yaxin Xu1, Zhiwei Nie2
1Southern University of Science and Technology, Shenzhen, China; Pengcheng Laboratory, Shenzhen, China.
Abstract:
Induced proximity is changing drug discovery by turning molecular association into a therapeutic design principle. Rather than blocking a single active site, proximity-based agents can degrade, stabilize, relocalize or rewire disease-relevant proteins. This review examines how artificial intelligence is beginning to support that transition, from prioritizing target-effector pairs and modelling ternary or neo-interface assemblies to designing degraders, molecular glues and programmable systems and learning from experimental feedback. We discuss progress across degradative and nondegradative modalities and argue that future impact will depend less on larger models alone than on mechanism-resolved data, realistic benchmarks, interpretable failure analysis and developability-aware design.
Related Concept Videos
Drug Discovery: Overview
Structure-Activity Relationships and Drug Design
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
Protein-protein Interfaces
Protein Networks
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
Drug-Receptor Bonds
In...
Drug-Receptor Interactions
Several parameters, such as the drug's affinity for its receptor and its efficacy, which is its ability to activate the receptor, determine the drug's effect on the tissue.