Cover image for From molecules to medicines : structure of biological macromolecules and its relevance in combating new diseases and bioterrorism
Title:
From molecules to medicines : structure of biological macromolecules and its relevance in combating new diseases and bioterrorism
Series:
NATO science for peace and security series. Series A, Chemistry and biology,

NATO science for peace and security series. Series A Chemistry and biology.
Publication Information:
Dordrecht : Springer : In cooperation with NATO Public Diplomacy Division, c2009
Physical Description:
xv, 251 p. : ill. ; 24 cm.
ISBN:
9789048123384

9789048123377

9789048123391

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30000010263694 QD381.9.S87 N385 2008 Open Access Book Book
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Summary

Summary

This volume comprises papers presented at the 40th Erice Course "From Molecules to Medicine: Structure of Biological Macromolecules and Its Relevance in Combating New Diseases and Bioterrorism," May 29 to June 8, 2008. The papers span the breadth of material presented, which emp- size the practical aspects of modern macromolecular crystallography and its applications to medicine. Topics addressed span from the selection of targets, through to structure determination, interpretation and exploitation. A particular theme that emerges is the dependence of modern structural science on multiple experimental and computational techniques. It is both the development of these techniques and their integration that will take us forward in the future. The NATO ASI directors worked alongside, and offer deep gratitude to Prof. Sir Tom Blundell, Director of the International School of Crystal- graphy, Dr Colin Groom, Dr Neera Borkakoti, Dr John Irwin and Prof. Lodovico Riva di Sanseverino, who were in turn supported by a number of local facilitators. The course was financed by NATO as an Advanced Study Institute. Additional support was given by the European Crystallographic Association, the International Union of Biochemistry and Molecular Biology, the Int- national Union of Crystallography, the University of Bologna, AstraZeneca, Roche, Merck & Co., Boehringer Ingelheim, Bruker Corporation, Douglas Instruments, Informa UK, the Department of Pharmaceutical Chemistry, TTP Lab Tech, University of California at San Francisco. Joel L. Sussman and Paola Spadon


Table of Contents

Edward N. Baker and Thomas Proft and Haejoo KangTerese BergforsTimo J. Heikkila and Sachin Surade and Hernani L. Silvestre and Marcio V.B. Dias and Alessio Ciulli and Karen Bromfield and Duncan Scott and Nigel Howard and Shijun Wen and Alvin Hung Wei|cDavid Osborne and Chris Abell and Tom L. BlundellSandra W. Cowan-Jacob and Gabriele Fendrich and Andreas Floersheimer and Pascal Furet and Janis Liebetanz and Gabriele Rummel and Paul Rheinberger and Mario Centeleghe and Doriano Fabbro and Paul W. ManleyGabriele Cruciani and Yasmin Aristei and Laura Goracci and Emanuele CarosatiGerhard KlebeGerhard KlebeJoseph MarcotrigianoNarayanan Eswar and Andrej SaliGiovanna ScapinEran Hodis and Jaime Prilusky and Joel L. SussmanJoel L. Sussman and Israel SilmanJames D. Watson and Janet M. ThorntonWilliam I. Weis and Daniel M. Rosenbaum and Sφren G.F. Rasmussen and Hee-Jung Choi and Foon Sun Thian and Tong Sun Kobilka and Xiao-Jie Yao and Peter W. Day and Charles Parnot and Juan J. Fung and Venkata R.P. Ratnala and Brian K. Kobilka and Vadim Cherezov and Michael A. Hanson and Peter Kuhn and Raymond C. Stevens and Patricia C. Edwards and Gebhard F.X. Schertler and Manfred Burghammer and Ruslan Sanishvili and Robert F. Fischetti and Asna Masood and Daniel K. RohrerAda Yonath
Prefacep. vii
List Of Contributorsp. ix
1 Surface Proteins Of Gram-Positive Pathogens: Using Crystallography To Uncover Novel Features In Drug And Vaccine Candidatesp. 1
2 The Rapid Crystallization Strategy For Structure-Based Inhibitor Designp. 11
3 Fragment-Based Drug Discovery In Academia: Experiences From A Tuberculosis Programmep. 21
4 Structural Biology Contributions To The Discovery Of Drugs To Treat Chronic Myelogenous Leukemiap. 37
5 Integrating Crystallography Into Early Metabolism Studiesp. 63
6 The Foundations Of Protein-Ligand Interactionp. 79
7 Structure-Based Design Of Trna-Guanine Transglycosylase Inhibitorsp. 103
8 Progress On New Hepatitis C Virus Targets: NS2 And NS5Ap. 121
9 Protein Structure Modelingp. 139
10 Structural Biology And Molecular Modeling In The Design Of Novel DPP-4 Inhibitorsp. 153
11 Tools To Make 3D Structural Data More Comprehensible: Emovie & Proteopediap. 169
12 Structural Studies On Acetylcholinesterase And Paraoxonase Directed Towards Development Of Therapeutic Biomolecules For The Treatment Of Degenerative Diseases And Protection Against Chemical Threat Agentsp. 183
13 Protein Function Prediction From Structure In Structural Genomics And Its Contribution To The Study Of Health And Diseasep. 201
14 Crystal Structures Of The ß2-Adrenergic Receptorp. 217
15 Can Structures Lead To Better Drugs? Lessons From Ribosome Researchp. 231