Since the first 1980's, advances in biological science, protein crystallography,
and computational chemistry have greatly aided Rational Drug Design (RDD)
paradigms and therefore the accuracy of their binding affinity predictions.9-11 Figure 1
shows
a flowchart that describes the various approaches which will be used by drug
discovery groups during RD D or ligand design. Further discussion of RD D are
organized into four main areas. Two of those areas, pharmacophore based approaches
and structure-based approaches rely upon whether the three-dimensional structure of
the biological target is obtainable. the opposite two areas, new lead generation and
structure evaluation, are going to be performed irrespective of whether the biological target
structure is Known.
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