Pharmacophore Perception, Development and Use in Drug Design. Edited by Osman F. Güner

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