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In silico Lead Discovery
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Editor: Maria A. Miteva

In silico Lead Discovery

eBook: US $26 Special Offer (PDF + Printed Copy): US $144
Printed Copy: US $131
Library License: US $104
ISBN: 978-1-60805-313-1 (Print)
ISBN: 978-1-60805-142-7 (Online)
Year of Publication: 2011
DOI: 10.2174/97816080514271110101
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Introduction

Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a compilation of the efforts of several experts on bioinformatics and drug design in developing the latest advances of in silico approaches for lead discovery. It contains an overview of structure-based, ligand-based methods and current fragment-based methods as well as examples for successful applications of such methods in discovering new hit/lead molecules for important therapeutic targets. Treatment of receptor flexibility - which is one of the most important challenges for in silico screening today – has also been highlighted in the eBook. Biomedical scientists, biologists and chemists can find valuable information here that could help them to initiate or to complete chemical biology projects with the goal of designing new hit-to-lead molecules or chemical probes for chemogenomics projects.

Indexed in: Book Citation Index, Science Edition, Web of Science, BIOSIS Previews, Scopus, Chemical Abstracts, EBSCO.


eBook: US $26 Special Offer: US $144 Printed Copy: US $131 Library License: US $104

Contributors

Editor(s):
Maria A. Miteva
University Paris Diderot
France



Contributor(s):
Ruben Abagyan
University of California, San Diego, Skaggs School of Pharmacy and Pharmaceutical Sciences
9500 Gilman Drive, MC 0657
La Jolla, Ca 92093-0657
USA


Emil Alexov
Computational Biophysics and Bioinformatics, Department of Physics
Clemson University
SC , 29634
USA


Andrea Bortolato
Syngenta Crop Protection Research
Schaffhauserstrasse, CH- 4332 Stein
Switzerland


Frédéric Guyon
MTi, University Paris Diderot - Inserm UMR-S 97
35 rue Helene Brion
Paris, 75013
France


Alicia P. Higueruelo
Department of Biochemistry, University of Cambridge
80 Tennist Court Road
Cambridge
CB2 1GA
UK


David Lagorce
MTi, University Paris Diderot - Inserm UMR-S 973
35 rue Helene Brion
Paris, 75013
France


Wen Hwa Lee
Structural Genomics Consortium, University of Oxford
Old Road Campus Research Building
Roosevelt Drive, Headington
Oxford
OX3 7DQ
UK


Jean-Didier Marechal
Departament de Química
Universitat Autònoma de Barcelona
Bellaterra, 08193
Spain


Brian D. Marsden
Structural Genomics Consortium, University of Oxford
Old Road Campus Research Building
Roosevelt Drive, Headington
Oxford
OX3 7DQ
UK


Maria A. Miteva
MTi, University Paris Diderot - Inserm UMR-S 973
35 rue Helene Brion
Paris, 75013
France


Rooplekha C. Mitra
Computational Biophysics and Bioinformatics, Department of Physics
Clemson University
SC , 29634
USA


Xavier Morelli
Laboratoire Interactions et Modulateurs de Réponses (FRE3083)
CNRS & Aix-Marseille Universités, Institut de Microbiologie de la Méditerranée
31 Chemin Joseph Aiguier
Marseille Cedex 20, 13402
France


Stefano Moro
Molecular Modeling Section, Dipartimento di Scienze Farmaceutiche
Università di Padova
Via Marzolo 5
Padova, 35131
Italy


Ilza Pajeva
Centre of Biomedical Engineering, Bulgarian Academy of Sciences
Acad. G. Bonchev Str. Bl. 105
BG-1113
Sofia
Bulgaria


David Perahia
Institut de Biochimie et Biophysique Moléculaire et Cellulaire
Université Paris-Sud, Bat 430
Orsay, 91405
France


Francesca Perruccio
Syngenta Crop Protection Research
Schaffhauserstrasse
Stein
CH, 4332
Switzerland


Will R. Pitt
UCB Celltech, branch of UCB Pharma S.A., Slough, UK; Department of Biochemistry
University of Cambridge
80 Tennist Court Road
CB2 1GA
Cambridge
UK


Charles H. Robert
CNRS Laboratoire de Biochimie Théorique, IBPC
13 rue Pierre et Marie Curie
Paris, 75005
France


Philippe Roche
CNRS & Aix-Marseille Universités, Institut de Microbiologie de la Méditerranée, Laboratoire Interactions et Modulateurs de Réponses (FRE3083)
31 Chemin Joseph Aiguier
Marseille Cedex 20, 13402
France


Olivier Sperandio
MTi, University Paris Diderot - Inserm UMR-S 973
CDithem Platform
35 rue Helene Brion
Paris, 75013
France


Nikolay P. Todorov
Molscape Therapeutics
1 Woodman Way
CB2 1GA
Cambridge
UK


Pierre Tuffery
MTi, University Paris Diderot - Inserm UMR-S 973, RPBS
35 rue Helene Brion
Paris
75013
France


Bruno O. Villoutreix
MTi, University Paris Diderot - Inserm UMR-S 973
35 rue Helene Brion
Paris
75013
France


Michael Wiese
Pharmaceutical Chemistry II, Pharmaceutical Institute
University of Bonn, An der Immenburg 4
Bonn
53121
Germany