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2634: KCNT2 Round 8

Closed since 9 months ago

Intermediate Intermediate Overall Overall Small Molecule Design Small Molecule Design

Summary

Created
July 10, 2025
Expires
Max points
100
Description

KCNT2 is a sodium‑activated potassium channel that helps neurons reset after firing, keeping brain activity in check. Mutations in the KCNT2 gene can disrupt this balance and are linked to severe developmental and epileptic encephalopathies (DEE) and related seizure disorders.

Designing small‑molecule inhibitors that finely tune KCNT2 activity could open new paths to managing these conditions. In this puzzle, you’ll begin with a starter compound already docked in a KCNT2 binding pocket. Refine and reshape it into a stronger, more selective lead. Your intuition and problem‑solving skills could pave the way for future therapies targeting pediatric epilepsy and other neurological disorders.

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Comments

Sciren Staff Lv 1

I wonder why the starting ligand isn't on the right position at start. Working on this can give a nice basic score, but it uses resources that we could use looking for alternatives with better bonus.

Bruno Kestemont Lv 1

I wonder why the starting ligand isn't on the right position at start. Working on this can give a nice basic score, but it uses resources that we could use looking for alternatives with better bonus.