3D Qsar in Drug Design

Progress in medicinal chemistry and in drug design depends on our ability tounderstand the interactions of drugs with their biological targets. ClassicalQSAR st... » 

Progress in medicinal chemistry and in drug design depends on our ability tounderstand the interactions of drugs with their biological targets. ClassicalQSAR studies describe biological activity in terms of physicochemicalproperties of substituents in certain positions of the drug molecules. br Thepurpose of this book is twofold On the one hand both the novice and theexperienced user will be introduced to the theory and application of 3D QSARanalyses and on the other a comprehensive overview of the scope andlimitations of these methods is given. The detailed discussion of the presentstate of the art should enable scientists to further develop and improve thesepowerful new tools. br The greater part of the book is dedicated to thetheoretical background of 3D QSAR and to a discussion of CoMFA applications. Inaddition various other 3D QSAR approaches and some CoMFArelated methods aredescribed in detail. Thus the book should be valuable for medicinalagricultural and theoretical chemists biochemists and biologists as well asfor other scientists interested in drug design. Its content starting at a veryelementary level and proceeding to the latest methodological results thestrengths and limitations of 3D QSAR approaches makes the book alsoappropriate as a text for teaching and for graduate student courses. «