Molecular Orbital Studies In Chemical Pharmacology

Author : Lemont B. Kier
Publisher : Springer Science & Business Media
Page : 296 pages
File Size : 44,5 Mb
Release : 2012-12-06
Category : Medical
ISBN : 9783642875366

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Molecular Orbital Studies in Chemical Pharmacology by Lemont B. Kier Pdf

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 a group of scientists of diverse backgrounds. The lecturers at this symposium, all interested in molecular orbital theory, have backgrounds in pharmacology, physical chemistry, theoretical chemistry, bio chemistry and medicinal chemistry. The common denominator among these scientists has been the realization that they must search at the primary level of chemical events for explanations of biological phenomena. Since these events are governed to a large extent by the properties of the valence electrons of molecules, molecular orbital theory offers great promise in explaining and predicting biological phenomena. October, 1969 Lemont B. Kier Table of Contents v Preface BERNARD PULLMAN - Electrons in Nucleic Acids and their Cons- tu ent s JAMES R. HOYLAND - Semiempirical MO Theories: A Critique and 31 a Rev i ew of Progress ••••• . •••.

Author : Lemont Kier
Publisher : Elsevier
Page : 273 pages
File Size : 51,5 Mb
Release : 2012-12-02
Category : Medical
ISBN : 9780323158275

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Molecular Orbital Theory In Drug Research by Lemont Kier Pdf

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 indices reflecting covalent bond formation and biological activity. This text further examines the charge transfer mechanisms of several drug classes. The remaining chapters are devoted to the use of molecular orbital theory in several aspects of drug research, including molecular conformation, acid-base phenomena, hydrogen bonding, and dispersion forces. This work is directed to the advanced undergraduate or graduate students in medicinal chemistry or pharmacology, as well as to the practicing scientists interested in acquiring some understanding of molecular orbital theory. Theoretical chemists seeking information on biological phenomena amenable to semiempirical molecular orbital study will find this book invaluable.

Author : W. G. Richards
Publisher : Elsevier
Page : 288 pages
File Size : 52,9 Mb
Release : 2013-10-22
Category : Medical
ISBN : 9781483163673

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Quantum Pharmacology by W. G. Richards Pdf

Quantum Pharmacology, Second Edition discusses molecular pharmacology, molecular quantum mechanics, and the applications of theory to experiment. The book reviews molecular and quantitative pharmacology, as well as acetylcholines, catecholamines, and histamines. The text also discusses the central nervous system in relation to monoamines, acetylcholines, amino acids, and peptides. The book explains wave functions and orbitals, secular equations, matrix elements, and self-consistent molecular orbitals. One way to improve wave functions as a result of a self-consistent field or as an approximate calculation, is to permit different configurations to interact. Linear mixing will lead to improved wave functions. The investigator can compute wave functions and energies of molecules for any set of nuclear coordinates. Quantum chemical calculations treat conformation as similar with geometry; calculations are performed for a series of positions in one part of a molecule relative to another. The investigator can then compare the energies found in each position. The book points out that calculations of conformational internal energy surfaces for flexible pharmacological molecules treating the molecule or ion as isolated in space fit in with observed results of crystallographic experiments. The text is suitable for pharmacologists, and scientists involved in molecular pharmacology, medicinal chemistry, and quantum chemistry.

Author : E. Bergmann,A. Pullman
Publisher : Springer Science & Business Media
Page : 580 pages
File Size : 44,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789401017589

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Molecular and Quantum Pharmacology by E. Bergmann,A. Pullman Pdf

The seventh Jerusalem Symposium has tried to penetrate into a field of research towards which the efforts of a large number of the most variegated modern techniques are conversing: molecular and quantum pharmacology. The hope to elucidate the mode of action of drugs, to establish correlations between the electronic and con formational structures of drugs and their mode of action and level of activity, to derive from these data the nature of the cellular receptors and an understanding of the interaction of the drugs with those receptors - is a strong stimulus to enlarge and deepen the research efforts with the ultimate view to rationalize the design of more efficient and more specific drugs. The Symposium represents an attempt to survey the progress made so far in this respect and the methods and efforts employed in order to arrive at even greater achievements. The presentation of this Symposium differs somewhat from that of the preceding ones. Owing to the political events which disturbed the peace in the Middle East and therefore the normal activities of commerce and industry in Israel at least temporarily, the printing and distribution of this volume were entrusted to the Reidel Publishing Company. We wish to thank them for their very efficient col1aboration and for all their efforts to publish this volume with a minimum delay.

Author : R.B. Barlow
Publisher : Springer Science & Business Media
Page : 257 pages
File Size : 45,7 Mb
Release : 2012-12-06
Category : Medical
ISBN : 9781468483321

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Quantitative Aspects of Chemical Pharmacology by R.B. Barlow Pdf

This book gathers together chemical ideas which are important for understanding how drugs act and how new drugs may be developed. Students meet some of these ideas in courses in chemistry, biochemistry and pharmacology but in my experience they find it difficult to put together information often acquired in different years and from different departments; they need it set out in a book. I believe also that it helps if they can see how these ideas may be applied to numerical problems so I have included examples (with answers), many of which are taken from research work. These should therefore provide a chance for the student both to test his or her own understanding and to see the sort of results which form the bricks of which any experimental science is made. In all the problems the arithmetic takes less than ten minutes with a small calculator which has exponential functions and logarithms.

Author : Rainer Franke
Publisher : Walter de Gruyter GmbH & Co KG
Page : 412 pages
File Size : 55,5 Mb
Release : 1984-12-31
Category : Medical
ISBN : 9783112706992

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Theoretical Drug Design Methods by Rainer Franke Pdf

No detailed description available for "Theoretical Drug Design Methods".

Author : Anonim
Publisher : Unknown
Page : 846 pages
File Size : 47,9 Mb
Release : 1976
Category : Drug abuse
ISBN : COLUMBIA:HR01828347

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NIDA Research Monograph by Anonim Pdf

Author : Anonim
Publisher : Elsevier
Page : 276 pages
File Size : 54,9 Mb
Release : 1975-01-01
Category : Medical
ISBN : 0080862594

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Progress in Medicinal Chemistry by Anonim Pdf

Progress in Medicinal Chemistry

Author : Gene Barnett
Publisher : Unknown
Page : 508 pages
File Size : 42,6 Mb
Release : 1978
Category : Analgesics
ISBN : UOM:39015003235739

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Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens by Gene Barnett Pdf

Author : Anonim
Publisher : Unknown
Page : 506 pages
File Size : 52,6 Mb
Release : 1978
Category : Analgesics
ISBN : PURD:32754081426219

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QuaSAR by Anonim Pdf

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 431 pages
File Size : 53,5 Mb
Release : 2003-05-08
Category : Science
ISBN : 9780471458814

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Reviews in Computational Chemistry, Volume 17 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Author : Anonim
Publisher : Unknown
Page : 528 pages
File Size : 55,6 Mb
Release : 1974
Category : Pharmacology
ISBN : PSU:000052079054

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Research Communications in Chemical Pathology and Pharmacology by Anonim Pdf

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 547 pages
File Size : 49,9 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126066

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Reviews in Computational Chemistry, Volume 2 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

This second volume of the series 'Reviews in Computational Chemistry' explores new applications, new methodologies, and new perspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described include conformational search strategies, distance geometry, molecular mechanics, molecular dynamics, ab initio and semiempirical molecular orbital calculations, and quantitative structure-activity relationships (QSAR) using topological and electronic descriptors. A compendium of molecular modeling software will help users select the computational tools they need. Each chapter in 'Reviews in Computational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.

Author : E. J. Ariëns
Publisher : Elsevier
Page : 521 pages
File Size : 43,9 Mb
Release : 2013-10-22
Category : Medical
ISBN : 9781483216058

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Drug Design by E. J. Ariëns Pdf

Drug Design, Volume III covers the mode of action of biologically active compounds. The book discusses microbial transformations that have been used in the preparation of drugs or closely related substances; the use of linear free energy parameters and other experimental constants in structure-activity studies; and the mode of action of anticoagulants structurally and functionally related to vitamin K. The text also describes the design of beta-blocking drugs, biologically active acridines, local anesthetics, and insect chemosterilants. The molecular approach for designing inhibitors to enzymes involved in blood clotting is also considered. Chemists, pharmacologists, and people involved in drug design.

Author : P. Pratesi
Publisher : Elsevier
Page : 177 pages
File Size : 50,6 Mb
Release : 2013-10-22
Category : Medical
ISBN : 9781483284743

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Medicinal Chemistry—III by P. Pratesi Pdf

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.