be230cLecture11

Disadvantage from perspecbve of interrogabng the

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Unformatted text preview: the more highly cited esBmates (Regine Bohacek) considers creaBng a linear compound from scratch, choosing a carbon, oxygen or sulphur atom to form the backbone to the molecule of 30 members. Adding any stable chemical group onto the free bonds, and considering aspects that would produce greater chemical diversity, such as branching, recyclizaBon and stereochemistry, gives an esBmate in excess of 1060 possible molecules. Only a small proporBon of these ~1060 molecules will be therapeuBcally useful  ­ most will be biologically inert or have a poor pharmacokineBc profile, usually defined by an ADME ­Tox profile (absorpBon, distribuBon, metabolism, excreBon and toxicity of a compound) 9 5/7/13 Chemical Space •  •  •  Discrete areas of chemical space that are occupied by compounds with specific affinity for biological molecules. Examples of such molecules are those from major gene families (shown in brown, with specifi...
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This document was uploaded on 04/09/2014.

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