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Molecular Structure Description
The electrotopological state is a new approach to defining key structural features of a molecule in drug design. Combining both electronic and topological attributes, the E-State index facilitates the development of a structure - activity model, the definition of a pharmacophore, and the search through a database for similar or dissimilar compounds. The background for the method, the concept of the intrinsic state, and the E-State index as a function of the atom or group within the field of all atoms in a molecule are all described in this primer for a new structure paradigm. Software on the bundled CD-ROM allows the reader to compute and display the E-State indices for molecules, while examples in the book illustrate strategies that can be used in drug research.
Molecular Orbital Studies in Chemical Pharmacology
A symposium on molecular orbital studies in chemical pharmacology was held at the Battelle Seattle Research Center of Batteile Memorial Institute in Seattle, Washington, U.S.A, on October 20-22, 1969. This volume is a col lection of the lectures presented at that symposium. The use of quantum mechanics to study the actions of molecules of biological importance is being developed by a number of scientists concerned with these phenomena. The advent of high speed computers has made possible the appl i cation of this technique to large molecules, of the kind important in living systems. One result of this expanded computational abi I ity has been the uti I i zation of molecular orbital theory by...
Molecular Connectivity in Chemistry and Drug Research
Medicinal Chemistry, Volume 14: Molecular Connectivity in Chemistry and Drug Research is a 10-chapter text that focuses on the molecular connectivity approach for quantitative evaluation of molecular structure of drugs. Molecular connectivity is a nonempirical derivation of numerical value that encode within them sufficient information to relate to many physicochemical and biological properties. This book outlines first the development of molecular connectivity approach, followed by considerable chapters on its application to evaluation of physicochemical properties of drugs. Other chapters explore the application of molecular connectivity to structure-activity studies in medicinal chemistry. The final chapters provide some reflections, challenges, and potential areas of investigation of molecular connectivity. Advanced undergraduate or graduate students in medicinal chemistry or pharmacology, practicing scientists, and theoretical chemists will find this book invaluable.
Molecular Orbital Theory In Drug Research
Medicinal Chemistry, Volume 10: Molecular Orbital Theory in Drug Research is a 12-chapter text that emerged from a series of lectures presented to graduate students in medicinal chemistry at the University of Michigan. After dealing with the general considerations of drug phenomena and quantum theory, this book goes on exploring the various molecular orbital calculation methods and the significance of molecular orbital indices. The subsequent chapters on the applications of molecular orbital theory are organized on the basis of physical chemical phenomena concluded from the studies described to be involved in the biological activity. These chapters also look into the correlations between ind...
Modeling Chemical Systems using Cellular Automata
Modeling Chemical Systems using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models. It then gives detailed descriptions, with examples and exercises, of how cellular automata models can be used in the study of a wide variety chemical, physical, and biochemical phenomena. Topics covered include models of water itself, solution phenomena, solution interactions with stationary systems, first- and second-order kinetic phenomena, enzyme kinetics, vapor-liquid equilibrium, and atomic and molecular ex...
Drug Design
Drug Design, Volume X covers promising and current developments in drug design. The book discusses procedures as applied in the practice of drug design; the structural aspects of the structure-activity relationships of neuroleptics; and promising perspectives in the highly actual field of bioactive peptides. The text also describes the application of the dynamic systems analysis to the antihypertensive drug action; polymeric drug delivery systems; and the design of biocompatible polymers. The structure-activity relationships of insect repellents as a basis for the design of such agents, as well as the approaches to the multivariate data analysis in structure-activity relationships, which is an essential aspect of drug design, are also encompassed. Chemists, pharmacologists, bioengineers, and people involved in drug design and manufacture will find the book invaluable.
Current Catalog
First multi-year cumulation covers six years: 1965-70.
Medicinal Chemistry—III
Medicinal Chemistry–III provides information pertinent to the fundamental aspects of medicinal chemistry. This book discusses the mechanism of action of drugs at the molecular level. Organized into eight chapters, this book begins with an overview of the systems for protein biosynthesis that are classified according to their mechanism and the selective action of drugs on their reactions. This text then examines the key structure in the biosynthesis of the peptidoglycans of bacterial cell walls. Other chapters consider the enzymes that transcribe DNA synthesizing RNA, which have structural differences in eukaryotic and prokaryotic cells. This book discusses as well the concepts for drug screening as they have been emerged from neurochemical research. The final chapter deals with the significance of molecular orbital theory in the hands of the biologist or chemists, which lies in its ability to derive information regarding the properties of molecules. This book is a valuable resource for organic, physical, and biological chemists.
