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Fragment based drug design

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Definice fragmentu<br />

• Menšísloučenina (Pravidlo 3. Méně než 300 Da.<br />

Typicky 150-250. ClogP 3, ne více než 3 HB donory<br />

a akceptory.<br />

• Střední úroveň afinity (100μM-1mM)<br />

• HTS. Menší knihovna sloučenin, menší afinita.<br />

(Graffinity knihovna - 20 000 fragmentů,<br />

40nmol/sloučenina).<br />

• Biofyzikální screening: NMR, X-ray, MS<br />

• Ligand-protein vazebná místa

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