Strategy of Drug-Design

  • William P. Purcell
Conference paper
Part of the Topics in Infectious Diseases book series (TIDIS, volume 1)


Beginnings in quantitative structure-activity relationship (QSAR) studies were made about twenty years ago (Bruice et al., 1956) but only in the last ten years (Hansch and Fujita, 1964; Free and Wilson, 1964) has this powerful methodology been widely applied. The realization that long waiting periods necessary for pharmacological and clinical testing along with the tremendous costs associated with synthesis have “forced” the discovery of techniques that would increase the probability of selecting useful compounds for synthesis and evaluation. When one considers that it costs about $2,000 per compound for synthesis and about $10,000,000 and 10 years to bring a new drug to the market, one must search for more effective ways to select molecules for synthesis and evaluation. QSAR techniques, while not a panacea, are now being used successfully to reach target molecules faster and at less expense. Those using QSAR thoughtfully recognize them as another tool in our background of knowledge much the way an organic chemist uses the tools of infrared and nmr in addition to elemental analysis in compound identification. QSAR should not replace existing experiences in drug design, but it should be added to them (Purcell, 1973).


Partition Coefficient Electric Dipole Moment Antimalarial Activity Inhibitory Potency Molecular Orbital Calculation 
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© Springer-Verlag/Wien 1975

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  • William P. Purcell

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