In the early 1900s, Paul Ehrlich first defined pharmacophores as molecule frameworks that carry the essential features responsible for a drug's biological activity, and the modern definition is little changed. The 27 studies here begin by tracing the evolution of the concept in pharmaceutical research, then cover analog-based and receptor-based varieties, new algorithms, and the future of research. Among the specific topics: pharmacophores based on multiple common-feature alignments; modeling programs including HypoGen, DISCO, Catalyst, HipHop, GASP, Chem-X, Apex-3D, CoMFA; pharmacophore-based molecular docking, a technique for developing a pharmacophore model that accommodates inherent protein flexibility; and the effect of variable weights and tolerances on predictive model generation. Books in Print lists only one other book on the topic of pharmacophores. Annotation c. Book News, Inc., Portland, OR (booknews.com)
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The 27 studies here cover analog-based and receptor-based varieties, including HypoGen, DISCO, Catalyst, HipHop, GASP, Chem-X, Apex-3D, CoMFA; docking, -- From Book News, Inc.Portland, OR
This unique volume, focused on pharmacophore perception and applications, could not have been published at a more opportune time and the Editor has ensured that it will appeal to a very broad audience. His own Introduction coupled with chapters by the pioneers in pharmacophore perception provide a clear perspective which enables both newcomers and experts to appreciate the state-of-the-art perception methods described in subsequent chapters. He has also included chapters discussing applications ranging from qualitative (SAR) methods such as 3D-searching and other forms of database mining to quantitative (QSAR) methods such as CoMFA and receptor-ligand docking scores. The two sections on analog-based and receptor-based pharmacophores correspond to the two fundamental approaches to computer aided drug design: ligand-based and receptor-based design. By compiling chapters discussing the background, current methods, and a prospective discussion of future directions, the Editor has ensured that this book will be a valuable resource in both the research lab and the classroom, now and for years to come.
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