Guidebook on molecular modeling in drug design

✍ Scribed by N Claude Cohen

• Publisher: Academic Press
• Year: 1996
• Tongue: English
• Leaves: 361
• Category: Library

✦ Synopsis

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. Read more...

✦ Table of Contents

Content: 1. The Molecular Modeling Perspective in Drug Design / N. Claude Cohen --
2. Molecular Graphics and Modeling: Tools of the Trade / Roderick E. Hubbard --
3. Molecular Modeling of Small Molecules / Tamara Gund --
4. Computer-Assisted New Lead Design / Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata and Nubuo Tomioka --
5. Experimental Techniques and Data Banks / John P. Priestle and C. Gregory Paris --
6. Computer-Assisted Drug Discovery / Peter Gund, Gerald Maggiora and James P. Snyder --
7. Modeling Drug-Receptor Interactions / Konrad F. Koehler, Shashidhar N. Rao and James P. Snyder --
8. Glossary of Terminology / J.P. Tollenaere.
Abstract: 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