How to exploit protein-ligand interactions for new design ideas? - Drug repurposing Use Case
🔬In this video, we will utilize 3decision Interaction Search to explore an entire PDB databank to identify existing drugs with similar protein-ligand interaction patterns to get new drug design ideas.
Timestamps:
0:00 Intro
0:16 3decision interaction search feature
0:33 Drug repurposing Use Case: From malaria to cancer
1:08 Interaction search - Paper validation
2:25 Interaction search - New design idea
3:08 Recap
📖 Resources mentioned:
Salentin et al.: https://www.nature.com/articles/s4159...
3decision software: https://3decision.discngine.com/
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