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Summary of Rational Drug Design

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.