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Rational Drug Design Against GPCRs: Application to CCK2 Antagonists

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Structures and Field template d escribed in the text” border=”0″ src=”/wp-content/uploads/media/files/fieldalign_example_medium_U2pPmJg.jpg” title=”fieldalign_example_medium.jpg (imported)”></p><h3>Process:</h3><ol><li>Identify 3 diverse actives for CCK-2 (top left)</li><li>Process these actives using FieldTemplater to generate a binding model (<br /> lower left)</li><li>Load 18 diverse actives with known CCK-2 binding affinities (lower right<br /> ) into FieldAlign together with the result from FieldTemplater</li><li>Use FieldAlign to score each of the 18 new molecules against the Field t<br /> emplate</li><li>Plot (top right) FieldAlign scores against measured CCK-2 affinities (Ra<br /> t stomach pKb), r<sup>2</sup>=0.75</li></ol></div></div></div><div class=

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