Fragment-Based Methods in Drug Discovery

Anthony E. Klon

ISBN 10: 1493924850 / ISBN 13: 9781493924851

Editore: Springer New York, Springer New York Feb 2015, 2015

Riguardo questo articolo

Neuware -This volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the Methods in Molecular Biology series, this work contains the kind of detailed description and implementation advice to encourage success in the lab.Practical and cutting-edge, Fragment-Based Methodsin Drug Discovery takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study.Humana Press in Springer Science + Business Media, Heidelberger Platz 3, 14197 Berlin 240 pp. Englisch.

Codice articolo 9781493924851

Dati bibliografici

• Titolo: Fragment-Based Methods in Drug Discovery
• Editore: Springer New York, Springer New York Feb 2015
• Data di pubblicazione: 2015
• Lingua: Inglese
• ISBN 10: 1493924850
• ISBN 13: 9781493924851
• Rilegatura: Buch
• Condizione: Neu
• Dimensioni: 260 L x 183 A x 19 P (millimetri) 260 millimetri di larghezza per 183 millimetri di altezza per 19 millimetri di profondità
• Peso: 656 grammi

Descrizione articolo

Riassunto

This volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the Methods in Molecular Biology series, this work contains the kind of detailed description and implementation advice to encourage success in the lab.

Practical and cutting-edge, Fragment-Based Methods in Drug Discovery takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study.