- Email: [email protected]
Computer-Aided Drug Design: Methods and Applications. Edited by Thomas J. Perun and C. L. Propst. Marcel Dekker: New York, 1989. xii + 493 pp. 24 × 16 cm. ISBN 0-8247-8037-X. $99.75
BOOK REVIEWS ~~
Computer-Aided Drug Design: Methods and Applications. Edited by Thomas J. Perun and C. L. Propst. Marcel Dekker: New York, 1989. xii + 493 pp. 24 x 16cm. ISBN0-8247-8037-X. $99.75. Computational chemistry and molecular modeling are assuming an increasingly important role in understanding the basis of drug-receptorinteractions and assistingthe medicinalchemist in the design of new therapeutic agents. Improvementsin computer graphics, computationalpower, and softwarehave led to a better understanding of the three-dimensional aspects of ligandreceptor interactions and receptor specificity. Appropriately titled, this book provides a comprehensive overview of the techniques utilized in computer-aided drug design. The book consists of two sections: “Methods” and “Applications”. The “Methods” section consists of five chapters which cover computer graphics, molecular mechanics and dynamics, x-ray crystallography, NMR spectroscopy, and enzyme kinetics and function. The chapter on computer graphics provides well-balanced coverage of all areas of computer graphics including receptor mapping, molecular docking, and crystallography, and includes a list of molecularmodeling software with a brief description of their capabilities and where they may be obtained. The chapter on NMR spectroscopy gives an in-depth discussion of conformational analysis (including 2-D and 3-D NMR, correlation spectroscopy, and nuclear Overhauser effect spectroscopy), small molecule-large molecule interactions, and enzyme reactions. Chapter six provides a general discussion of essentially all aspects of enzyme kinetics, and contains a nonlinear leastsquares statistical analysis program designed to be used in the analysis of enzyme kinetic data. The “Applications” section consists of six chapters which provide relevant examples of how the techniques discussed in the “Methods” section are applied in computer-aided drug design. The examples covered in this section represent a wide array of pharmacologic agents, including angiotensinconverting enzyme inhibitors, renin inhibitors, dihydrofolate reductase inhibitors, antiviral drugs, opioid peptides, and cholate-uptake inhibiting cyclopeptides. This reviewer is particularly impressedwith the overall format of the book. The introduction provides a general discussion of drug discovery and traditional and modern methods of drug design. The importance of understanding the physiology of the disease process and of defining both the target (receptor)and the effector, are stressed. Dividing the book into “Methods” and “Applications”sections facilitates reading and comprehension. Each chapter is accompanied by many useful illustrations and references.The book stresses that computer-aideddrug design is a tool, and is not intended to supplant an individual’swisdom and intuition in drug discovery. This book is highly recommended for anyone involved in molecular modeling or drug design. The student will find this book to be an excellent text in learning the fundamental concepts of computer-aided drug design and how these concepts are applied. The researcher will most likely use this book as a reference source, but may also find it useful in learning some of the newer techniques in drug design. Although the field of three-dimensional modeling and computer graphics is rapidly progressing, it is unlikely that this book will become outdated in the near future.
Stephen C. DeVito Office of Toxic Substances (TS-779) United States Environmental Protection Agency 401 M Street SW Washington, DC 20460 0022-3549/90/12001 125$01.00/0 0 1990, American PharmaceuticalAssociation
~
~~~
~
~
~
~~~~~~~
~
~
~
Models in Dermatology. Volume 4. Edited by H.I. Maibach and N.J. Lowe. S. Karger AG: Basel, Switzerland. 1989. 304 pp. 17.5 x 24.5 cm. ISBN 3-8055-4761-7. $246.75. This book is a collection of 32 papers by investigators in dermatology reporting on or updating various kinds of models useful in dermatology research; models are liberally interpreted to mean models, methods, and techniques. Areas covered are cell biology, dermatopharmacology, dermatotoxicology, metabolism, percutaneous penetration, physiology, immunology, disease models, and wound healing. Nearly all the papers relate indirectly or directly to diseases of the skin andlor to dermatotherapeutics. Noteworthy papers include a new model for identifying differentiation-specific antigens in both normal and diseased keratinocytes, suction blister fluid for pharmacodynamic and toxicological studies of drugs and metabolites in vivo in human skin after topical or systemic administration, the skin equivalent as a model for skin and general pharmacology, an animal model for photoprotection, a cytotoxicity assay using human keratinocytes, examination of the lipids from single hair bulbs, in vivo assessment of synthetic barriers against percutaneous absorption of organic solvents in the guinea pig, the assessment of the cutaneous microcirculation by laser doppler and photoplethysmographic techniques, and an animal model of acne-like chronic inflammation. While this book is intended primarily for dermatology researchers, i t is clear that the topics covered would provide biology background and methods useful for pharmaceutical scientists interested in dermal and transdermal drug delivery.
William I. Higuchi Department of Pharmaceutics University of Utah College of Pharmacy Salt Lake City, UT 84112
Principles and Practice of Chromatography. By B. Ravindranath. John Wiley: New York. 1989. 502 pp. 24.5 x 17 cm. ISBN 0-470-21328-0. $79.95. This text, part of the Ellis Horwood Series in Analytical Chemistry, is a welcome addition to the current analytical chemical literature. Covering gas, liquid, and planar chromatography, it bridges the gap between theoretical treatises and collections of detailed methodology. The book is divided into four parts: basic principles, gas chromatography, liquid chromatography (including planar chromatography), and applications. Part 1 presents a brief history of chromatography and an introducton to chromatographic theory. Highlights include the derivation of the fundamental resolution equation relating plate count, separation factor, and capacity factor, as well as a discussion of the van Deemter equation and the factors contributing to band broadening in GC and the more complicated situation present in LC. Parts 2 and 3 present discussions on instrumentation and methods of modern gas chromatography and liquid chromaJournal of Pharmaceutical Sciences I 1125 Vol. 79, No. 12, December 1990
Computer-Aided Drug Design: Methods and Applications. Edited by Thomas J. Perun and C. L. Propst. Marcel Dekker: New York, 1989. xii + 493 pp. 24 x 16cm. ISBN0-8247-8037-X. $99.75. Computational chemistry and molecular modeling are assuming an increasingly important role in understanding the basis of drug-receptorinteractions and assistingthe medicinalchemist in the design of new therapeutic agents. Improvementsin computer graphics, computationalpower, and softwarehave led to a better understanding of the three-dimensional aspects of ligandreceptor interactions and receptor specificity. Appropriately titled, this book provides a comprehensive overview of the techniques utilized in computer-aided drug design. The book consists of two sections: “Methods” and “Applications”. The “Methods” section consists of five chapters which cover computer graphics, molecular mechanics and dynamics, x-ray crystallography, NMR spectroscopy, and enzyme kinetics and function. The chapter on computer graphics provides well-balanced coverage of all areas of computer graphics including receptor mapping, molecular docking, and crystallography, and includes a list of molecularmodeling software with a brief description of their capabilities and where they may be obtained. The chapter on NMR spectroscopy gives an in-depth discussion of conformational analysis (including 2-D and 3-D NMR, correlation spectroscopy, and nuclear Overhauser effect spectroscopy), small molecule-large molecule interactions, and enzyme reactions. Chapter six provides a general discussion of essentially all aspects of enzyme kinetics, and contains a nonlinear leastsquares statistical analysis program designed to be used in the analysis of enzyme kinetic data. The “Applications” section consists of six chapters which provide relevant examples of how the techniques discussed in the “Methods” section are applied in computer-aided drug design. The examples covered in this section represent a wide array of pharmacologic agents, including angiotensinconverting enzyme inhibitors, renin inhibitors, dihydrofolate reductase inhibitors, antiviral drugs, opioid peptides, and cholate-uptake inhibiting cyclopeptides. This reviewer is particularly impressedwith the overall format of the book. The introduction provides a general discussion of drug discovery and traditional and modern methods of drug design. The importance of understanding the physiology of the disease process and of defining both the target (receptor)and the effector, are stressed. Dividing the book into “Methods” and “Applications”sections facilitates reading and comprehension. Each chapter is accompanied by many useful illustrations and references.The book stresses that computer-aideddrug design is a tool, and is not intended to supplant an individual’swisdom and intuition in drug discovery. This book is highly recommended for anyone involved in molecular modeling or drug design. The student will find this book to be an excellent text in learning the fundamental concepts of computer-aided drug design and how these concepts are applied. The researcher will most likely use this book as a reference source, but may also find it useful in learning some of the newer techniques in drug design. Although the field of three-dimensional modeling and computer graphics is rapidly progressing, it is unlikely that this book will become outdated in the near future.
Stephen C. DeVito Office of Toxic Substances (TS-779) United States Environmental Protection Agency 401 M Street SW Washington, DC 20460 0022-3549/90/12001 125$01.00/0 0 1990, American PharmaceuticalAssociation
~
~~~
~
~
~
~~~~~~~
~
~
~
Models in Dermatology. Volume 4. Edited by H.I. Maibach and N.J. Lowe. S. Karger AG: Basel, Switzerland. 1989. 304 pp. 17.5 x 24.5 cm. ISBN 3-8055-4761-7. $246.75. This book is a collection of 32 papers by investigators in dermatology reporting on or updating various kinds of models useful in dermatology research; models are liberally interpreted to mean models, methods, and techniques. Areas covered are cell biology, dermatopharmacology, dermatotoxicology, metabolism, percutaneous penetration, physiology, immunology, disease models, and wound healing. Nearly all the papers relate indirectly or directly to diseases of the skin andlor to dermatotherapeutics. Noteworthy papers include a new model for identifying differentiation-specific antigens in both normal and diseased keratinocytes, suction blister fluid for pharmacodynamic and toxicological studies of drugs and metabolites in vivo in human skin after topical or systemic administration, the skin equivalent as a model for skin and general pharmacology, an animal model for photoprotection, a cytotoxicity assay using human keratinocytes, examination of the lipids from single hair bulbs, in vivo assessment of synthetic barriers against percutaneous absorption of organic solvents in the guinea pig, the assessment of the cutaneous microcirculation by laser doppler and photoplethysmographic techniques, and an animal model of acne-like chronic inflammation. While this book is intended primarily for dermatology researchers, i t is clear that the topics covered would provide biology background and methods useful for pharmaceutical scientists interested in dermal and transdermal drug delivery.
William I. Higuchi Department of Pharmaceutics University of Utah College of Pharmacy Salt Lake City, UT 84112
Principles and Practice of Chromatography. By B. Ravindranath. John Wiley: New York. 1989. 502 pp. 24.5 x 17 cm. ISBN 0-470-21328-0. $79.95. This text, part of the Ellis Horwood Series in Analytical Chemistry, is a welcome addition to the current analytical chemical literature. Covering gas, liquid, and planar chromatography, it bridges the gap between theoretical treatises and collections of detailed methodology. The book is divided into four parts: basic principles, gas chromatography, liquid chromatography (including planar chromatography), and applications. Part 1 presents a brief history of chromatography and an introducton to chromatographic theory. Highlights include the derivation of the fundamental resolution equation relating plate count, separation factor, and capacity factor, as well as a discussion of the van Deemter equation and the factors contributing to band broadening in GC and the more complicated situation present in LC. Parts 2 and 3 present discussions on instrumentation and methods of modern gas chromatography and liquid chromaJournal of Pharmaceutical Sciences I 1125 Vol. 79, No. 12, December 1990