Drug Discovery Part I: Screening for Compounds Jim Wells ...
Drug Discovery Part I: Screening for Compounds Jim Wells ...
Drug Discovery Part I: Screening for Compounds Jim Wells ...
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Target validation:<br />
Is the target “druggable”?<br />
•Are there known small molecules that<br />
bind the target or a homolog?<br />
Gleevec binding to BCR-ABL<br />
•Does the target have a site that looks like it<br />
will bind a small molecule (cavity, energetic<br />
hot-spot)?<br />
Small molecules like certain targets<br />
Target % of sm drugs Affinity<br />
(-ΔG per<br />
C,N,O)<br />
GPCR 45 0.5-0.7 kcal<br />
Kinases 4 0.35-0.5 kcal<br />
Protease 2 0.25-0.4 kcal<br />
P-P targets 0
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