数据与复现药物发现与化学信息学FreedomIntelligence/OpenClaw-Medical-Skills数据与复现

protac-design-agent

维护者 FreedomIntelligence · 最近更新 2026年4月1日

PROTAC design: E3 ligase ligand selection, linker optimization, ternary complex modeling.

OpenClawNanoClaw分析处理复现实验protac-design-agent🧠 bioos extended suitedrug discovery & designprotac

原始来源

FreedomIntelligence/OpenClaw-Medical-Skills

https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/protac-design-agent

技能摘要

2 min

PROTAC Design Agent provides AI-assisted design of Proteolysis Targeting Chimeras (PROTACs) ，用于 targeted protein degradation. It integrates 机器学习，用于 ternary complex prediction，linker design，E3 ligase selection，、 ADMET optimization to accelerate degrader drug discovery ，用于 oncology 、 other therapeutic areas。
When designing PROTAC degraders ，用于 target protein。
用于 optimizing linker chemistry 、 length。
To predict ternary complex formation 、 degradation efficiency。
When selecting optimal E3 ligase (CRBN，VHL) ，用于 target。

原始文档

Component	Function	Optimization Target
Warhead	Binds target protein (POI)	Affinity, selectivity
E3 Ligand	Recruits E3 ubiquitin ligase	CRBN/VHL binding
Linker	Connects warhead to E3 ligand	Length, flexibility, solubility

E3 Ligase	Ligand	Tissue Expression	Advantages
CRBN	Thalidomide analogs	Ubiquitous	Well-characterized
VHL	VHL ligands	Ubiquitous	High selectivity
MDM2	Nutlin analogs	Variable	p53-independent
IAP	SMAC mimetics	High in cancer	Dual mechanism
DCAF15	Indisulam	Variable	Novel chemistry