Résumé :
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Quoting Robert S. Pearlman, Coulter Sublett Regents Chair in Pharmacy in the University of Texas at Austin 'Pharmacophore perception and the use of perceived pharmacophores comprise the fundamental essence of all CADD methods.' Quoting the Editor's first sentence in the Preface of the book 'Perceiving a pharmacophore is the most important first step towards understanding the interaction between a receptor and a ligand.' While so fundamental in rational drug design, this is the very first book dedicated to pharmacophores. Therefore, Editor made it very comprehensive, both with respect to the coverage of prior art, but also with respect to what tools are available today, as well as the anticipated future directions. The book provides detailed guidelines for people who want to learn how to discover and develop pharmacophores in order to help design better drugs. It covers pharmacophore discovery techniques both from a series of active ligands, as well as from a receptor active site. It also provides detailed applications of pharmacophores that can be used to query databases of 3D structures, as well as in 3D-QSAR models for predicting the activities of compounds outside the domain of training sets. Finally, it covers some of the new algorithms that have been recently developed but have not made it into commercial software tools yet. Overall, this is an essential book for those who are involved in discovery, design, and optimization of new drug candidates.
Written by the best experts in drug design from different countries.
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