Pharmacophore Perception, Development and Use in Drug Design. Edited by Osman F. Güner (Molecular Simulations Inc.  tel. +1 858 799-5341, e-mail [email protected], http://www.msi.com). International University Line:La Jolla, CA. 2000. 537pp. Hardcover. $109.95. ISBN 0-9636817-6-1

Shu-Kun Lin

Molecular Diversity Preservation International (MDPI), Saengergasse 25, CH-4054 Basel, Switzerland
Tel. +41 79 322 3379, Fax +41 61 302 8918, E-mail: [email protected], http://www.mdpi.org/lin/

Received: 5 April 2000 / Published: 26 July 2000

The book entitiled Pharmacophore Perception, Development, and Use in Drug Design, which has been just released [1], is the first monograph dedicated to the topic of the pharmacophore. It is authored by 56 experts [2] in the fields of computational chemistry and chemo- and bioinformatics. The first chapter stes the tone for the volume by giving a very interesting account of the evolution of  the concepts of pharmacophore and related terms such as chromophore, chemotherapy (p.6), topological patterns of molecules, drug-receptor interaction (p.7), ligand-receptor binding, topographic patterns (p.8) and so on.

Below is the Table of Contents.

Preface. By O.F.Güner
Part I: The Origins of Pharmacophore Research
1. Evolution of the Pharmacophore Concept in Pharmaceutical Research. By P.Gund
Part II: Analog-Based Pharmacophores
2. Manual Pharmacophore Generation: Visual Pattern Recognition. By O.F.Güner
3. Pharmacophore Definition Using the Active Analog Approach. By D.D.Beusen, G.R.Marshall
Automated Pharmacophore Development Systems
4. DISCO: What We Did Right and What We Missed. By Y.C.Martin
5. HipHop: Pharmacophores Based on Multiple Common-Feature Alignments. By O.A.Clement, A.T.Mehl
6. GASP: Genetic Algorithm Superposition Program. By G.Jones, P.Willett, R.C.Glen
7. Exploring Pharmacophores with Chem-X. By S.J.Cato
Predictive Model Development - 3D QSAR
8. Apex-3D: Activity Prediction Expert System with 3D QSAR. By E.R.Vorpagel, V.E.Golander
9. Pharmacophore Models and Comparative Molecular Field Analysis (CoMFA) R.D.Clark, J.M.Leonard, A.Strizhev
10. HypoGen: An Automated System for Generating Predictive 3D  Pharmacophore Models. By H.Li, J.M.Sutter, R.Hoffmann Applications in Drug Design
11. Metric for Analyzing Hit Lists and Pharmacophores. By O.F.Güner, D.R.Henry
12. Strategies in Database Mining and Pharmacophore Development. By O.F.Güner, M.Waldman, R.Hoffmann, J-H.Kim
13. Pharmacophore Modeling by Automated Methods: Possibilities and Limitations. By M.Langgård, B.Bjørnholm, K.Gundertofte
14. Database Mining Using Pharmacophore Models to Discover Novel Structural Prototypes. By J.J.Kaminski, D.F.Rane, M.L.Rothofsky
15. Predicting Drug-Drug Interactions in Silico using Pharmacophores: A Paradigm for the Next Millenium. By S.Ekins, B.J.Ring, G.Bravi, J.H.Wikel, S.A.Wrighton
16. Feature-Based Pharmacophores: Applications to Some Biological Systems. By R.Hoffmann, H.Li, T.Langer
7. The Design and Pharmacophore Definition of Retinoid-X-Receptor Specific. By Ligands S.K.White
Part III: Receptor-Based Pharmacophores
18. Receptor-based Pharmacophore Perception and Modeling. By C.M.Venkatachalam, P.Kirchhoff, M.Waldman
19. Pharmacophore-Based Molecular Docking. By B.E.ThomasIV, D.Joseph-McCarthy, J.C.Alvarez
Applications in Drug Design
20. The Use of Multiple Excluded Volumes Derived from X-Ray Crystallographic Structures in 3D Database Searching and 3D-QSAR. By M.Gillner, P.Greenidge
21. Docking-Derived Pharmacophores from Models of Receptor-Ligand Complexes R.Griffith, J.B.Bremner, B.Coban
22. Technique for Developing a Pharmacophore Model That Accommodates Inherent Protein Flexibility: An Application to HIV-1 Integrase. By K.M.Masukawa, H.A.Carlson, J.A.McCammon
Part IV: New Algorithms in Pharmacophore Development
23. Pharmacophores Derived from the 3D Substructure Perception. By S.Handshuh, J.Gasteiger
24. The Electron-Conformational Method of Identification of Pharmacophore and Anti-Pharmacophore Shielding. By  I.B.Bersuker, S.Bahceci,  J.E.Boggs
25. Development and Optimization of Property-Based Pharmacophores. By A.G.Ozkabak, M.A.Miller, D.R.Henry, O.F.Güner
26. Effect of Variable Weights and Tolerances on Predictive Model Generation. By J.M.Sutter, O.F.Güner, R.Hoffmann, M.Waldman
Part V: The Future of Pharmacophore Research
27. Future Directions in Pharmacophore Discovery. By J.H.VanDrie

References and Notes

1. It should appear in Barnes & Noble and Amazon sites. Meanwhile you can contact the publisher for a copy at [email protected].
2. The full addresses and e-mails of these 56 authors are listed together in this book.

*Editor's Note: The brief summary and the contents of the books are reported as provided by the author or the publishers. Authors and publishers are encouraged to send review copies of their recent books of potential interest to readers of Molecules to the Editor-in-Chief (Dr. Shu-Kun Lin, MDPI, Saengergasse 25, CH-4054 Basel, Switzerland. Tel. +41 79 322 3379, Fax +41 61 302 8918, E-mail: [email protected]). Some books will be offered to the scholarly community for the purpose of preparing full-length reviews.

© 2000 by MDPI (http://www.mdpi.org).