The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
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<strong>The</strong> “Egan Egg”: Statistical Prospectively Useful Model<br />
8<br />
Poor Solubility<br />
Access Egan Egg via IsisDraw<br />
InSilico Pr<strong>of</strong>ile T2ABS plot<br />
ClogP<br />
6<br />
4<br />
2<br />
0<br />
-2<br />
Higher<br />
Permeability<br />
• Good Hunt<strong>in</strong>g Grounds<br />
Higher<br />
Solubility<br />
Poor Permeability<br />
& Poor Solubility<br />
• Few marketed <strong>drug</strong>s lie<br />
<strong>in</strong> this region<br />
Poor Permeability<br />
• Drugs <strong>in</strong> this<br />
region usually<br />
work via pro<strong>drug</strong>s<br />
<strong>of</strong> active transport<br />
-20 0 20 40 60 80 100 120 140 160 180 200<br />
| Obernai| 20.06.10 | Edgar Jacoby<br />
PSA WJ Egan et al, JMC, 2000
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