AA
AAV vector design: capsid selection, promoter optimization, payload capacity.
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数据与复现
MO
molecular-glue-discovery-agent
维护者 FreedomIntelligence · 最近更新 2026年4月1日
Molecular glue discovery: induced proximity degraders and ternary complex stabilizers.
原始来源
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/molecular-glue-discovery-agent
- 维护者
- FreedomIntelligence
- 许可
- MIT
- 最近更新
- 2026年4月1日
技能摘要
来自 SKILL.md 的关键信息
核心说明
- Molecular Glue Discovery Agent enables AI-driven discovery of molecular glue degraders that induce protein-protein interactions between E3 ligases 、 neo-substrates ，用于 targeted protein degradation. Unlike PROTACs，molecular glues are smaller，more drug-like molecules that can access previously "undruggable" targets through induced proximity mechanisms。
- When discovering new molecular glue scaffolds。
- 用于 identifying neo-substrate targets ，用于 existing glues。
- To design glues ，用于 specific E3-substrate pairs。
- When optimizing glue selectivity 、 potency。
原始文档
SKILL.md 摘录
Core Capabilities
-
Glue Scaffold Discovery: Identify novel molecular glue chemotypes.
-
Neo-Substrate Prediction: Predict proteins degraded by glues.
-
Interface Modeling: Model E3-glue-substrate ternary interfaces.
-
Selectivity Optimization: Design for specific substrate profiles.
-
SAR Analysis: Structure-activity relationship modeling.
-
Virtual Screening: Screen compounds for glue activity.
Molecular Glue Mechanisms
| Class | E3 Ligase | Mechanism | Example |
|---|---|---|---|
| IMiDs | CRBN | Degron recognition | Lenalidomide |
| CELMoDs | CRBN | Enhanced IKZF binding | Iberdomide |
| DCAF15 Glues | DCAF15 | Splicing factor degradation | Indisulam |
| CDK12 Glues | DDB1-CRBN | Cyclin K degradation | CR8 derivatives |
| β-catenin Glues | Novel | WNT pathway targets | Emerging |
Key Neo-Substrates
| Substrate | Glue Class | Disease Relevance |
|---|---|---|
| IKZF1/3 | IMiDs | Multiple myeloma |
| CK1α | Lenalidomide | MDS del(5q) |
| GSPT1 | CC-885 | AML |
| RBM39 | Indisulam | Solid tumors |
| Cyclin K | CR8 | Cancer |
| SALL4 | Thalidomide | Teratogenicity |
适用场景
- When discovering new molecular glue scaffolds。
- 用于 identifying neo-substrate targets ，用于 existing glues。
- To design glues ，用于 specific E3-substrate pairs。
- When optimi。
不适用场景
- Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。
上游相关技能
- PROTAC_Design_Agent - Bifunctional degraders
- TPD_Ternary_Complex_Agent - Complex modeling
- Virtual_Screening_Agent - High-throughput screening
- Protein_Protein_Docking_Agent - PPI modeling
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