Guidebook on Molecular Modeling in Drug Design [Hardcover]

N. Claude Cohen (Editor)

Book Description

ISBN-10: 012178245X | ISBN-13: 978-0121782450 | Publication Date: May 10, 1996 | Edition: 1

Specially designed computer software is revolutionizing procedures for structured or rational drug design and discovery. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis ofmolecular structure and the correlation of these structures with pharmacological reactions. Intended as an introductory guide for advanced students and professionals with an interest in computer-assisted modeling for drug design and discovery, this bookwill also be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field.

Molecular modeling is assuming an important role in the understanding of three-dimensional aspects in the specificity of drug-receptor interactions at the molecular level. This research area has become a well-established discipline in pharmaceutical research. It has created unprecedented opportunities in assisting medicinal chemists in the design of new therapeutic agents. Advances made in computer hardware and in theoretical medicinal chemistry have brought high-performance computing and graphics tools within reach of most academic and industrial laboratories, facilitating the development of useful approaches to rational drug design.

The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis of the molecular structure of biological molecules and drugs and the correlation of these structures with pharmacological actions. Intended as a guide for advanced students and professionals with an interest in computer-assisted modeling for drug design and discovery, this book will also be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field.

Editorial Reviews

Review

"A particular strength of the book is its practically-oriented approach, with detailed descriptions of the techniques used for modeling."
ANGEWAITE CHEM
"This book...gives a good introduction and overview of the rational design methods that are currently used in pharmaceutical research. As such, it also makes worthwhile reading for all researchers involved in drug discovery, e.g. medicinal chemists, molecular biologists and pharmacologists, who wish to gain a better insight into the possibilities offered by these techniques. I would even recommend that managers who need to decide on the organization of a molecular modelling environment in their company take a closer look at this book!"
--TIPS

From the Back Cover

Molecular modeling has assumed an important role in understanding the three-dimensional aspects of specificity in drug-receptor interactions at the molecular level. Well-established in pharmaceutical research, molecular modeling offers unprecedented opportunities for assisting medicinal chemists in the design of new therapeutic agents. Advances made in computer hardware and in theoretical medicinal chemistry have brought high-performance computing and graphics tools within the reach of most academic and industrial laboratories, and permitted the development of new approaches to rational drug design.

The Guidebook on Molecular Modeling In Drug Design serves as a manual for the analysis of the molecular structure of biological molecules and drugs and the correlation of these structures with pharmacological actions. Intended as a guide to the capabilities of computer-assisted modeling in drug design and discovery for advanced students and professionals, this book will be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field.

Product Details

• Hardcover: 361 pages
• Publisher: Academic Press; 1 edition (May 10, 1996)
• Language: English
• ISBN-10: 012178245X
• ISBN-13: 978-0121782450
• Product Dimensions: 9.1 x 6.1 x 1 inches
• Shipping Weight: 1.4 pounds (View shipping rates and policies)
• Average Customer Review: 3.5 out of 5 stars  See all reviews (2 customer reviews)
• Amazon Best Sellers Rank: #1,668,073 in Books (See Top 100 in Books)
  • #41 in Books > Medical Books > Pharmacology > Product Development

Customer Reviews

Most Helpful Customer Reviews

3 of 3 people found the following review helpful:

4.0 out of 5 stars Guidebook on Molecular Modeling in Drug Design, May 14, 2000

By 

Ahmed H. Kamal - See all my reviews

This review is from: Guidebook on Molecular Modeling in Drug Design (Hardcover)

The book emphasis is on different drug design techniques, specifically; The molecular modeling perspective in drug design, Molecular graphics and modeling, Molecular modeling of small molecules, Computer-assisted new lead design, Experimental techniques and data banks, Computer-assisted drug discovery, and Modeling drug-receptor interactions. The book covers in depth the docking of small molecules with protein receptors. Also the book surveys the molecular modeling packages currently used, their usage, strengths and weaknesses. The two main weaknesses of this book are (1) few illustrative figrues, (2) subjects overlapping (due to the fact that a group of authors contributed in writing this book). The book is really a guide book on molecular modeling and drug design as the title suggested.

3.0 out of 5 stars Maybe it's for the specialist, or was, June 12, 2004

By 

wiredweird "wiredweird" (Earth, or somewhere nearby) - See all my reviews
(HALL OF FAME REVIEWER)    (TOP 500 REVIEWER)   

This review is from: Guidebook on Molecular Modeling in Drug Design (Hardcover)

This book is structured as set of monographs by different authors, apparently invited specifically for this book. That's a format with strengths but also some serious weaknesses.

First, the strengths. The seven chapters, plus a glossary chapter, cover a fair bit of ground. The chapter on computation hardware and graphics started aging the day it was written, but the other chapters all offer insights. The topics are varied, and include basics of docking, a nice intro to crystallization and crystallography, a description of the approval process and the team required, and a description of several trails from target molecule and native ligand to serious drug candidate. The glossary is worthwhile, and could have been expanded well beyond its 19 pages.

The weakness of this format is that, although each chapter contains introductory material, the book as a whole is not written at the introductory level. It's not quite a text, more like seven unrelated chapters flying in close formation. No one, clear underlying pattern unifies the different piece. Maybe there is a pattern, but the reader must know it already. But in that case, would the reader really need the introductions? Also, the glossary was written without respect to the other chapters so isn't really a glossary of the book that contains it.

Finally, I have to point out that this book's copyright date of 1996 makes it a bit old, by the standards of the field.

There are a number of interesting facts to be had here. They are all isolated points, though. The reader must already have a pretty good idea of the whole picture that these points fit into.