Fragment-Based Drug Discovery: Difference between revisions
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===== ABT-737: ligand screening ===== | ===== ABT-737: ligand screening ===== | ||
<scene name='Sandbox_reserved_394/Compound_1/ | <scene name='Sandbox_reserved_394/Compound_1/7'>Two fragments</scene> were found to have moderate affinity for Bcl-xl. <scene name='Sandbox_reserved_394/Compound_1/2'>Compound 1</scene> is a fluorobiphenylcarboxylic acid. It occupies <scene name='Sandbox_reserved_394/Binding_site_1/1'>binding site 1</scene> of Bcl-xl. The fluorobiphenyl portion of compound 1 is very hydrophobic. Therefore, Bcl-xl forms a <scene name='Sandbox_reserved_394/Compound_1/4'>"hydrophobic pocket"</scene> around the fluorobiphenyl system. The <scene name='Sandbox_reserved_394/Compound_1/5'>carboxyilic acid portion of compound 1 binds near Gly 142</scene> of Bcl-xl. | ||
<scene name='Sandbox_reserved_394/Compound_1/3'>Compound 2</scene> is a napthalene-based alcohol which occupies <scene name='Sandbox_reserved_394/Binding_site_2/1'>binding site 2</scene>. This particular fragment also is involved with hydrophobic interactions with Bcl-xl, although they are not as strong as in the case of compound 1. | <scene name='Sandbox_reserved_394/Compound_1/3'>Compound 2</scene> is a napthalene-based alcohol which occupies <scene name='Sandbox_reserved_394/Binding_site_2/1'>binding site 2</scene>. This particular fragment also is involved with hydrophobic interactions with Bcl-xl, although they are not as strong as in the case of compound 1. | ||
