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NIDA Research Monograph, Number 22 [Printed in 1978]
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Download Monograph22.pdf - Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and
Hallucinogens (5.6 MB)
Foreword-----v
William Pollin
Introduction-----1
The Editors
SECTION I. PHARMACOCHEMICAL METHODS-----6
Absolute Configuration and Psychotomimetic Activity-----8
George M. Anderson III, Gisela Braun, Ulrich Braun, David E. Nichols, and Alexander Shulgin
Congeners of DOM: Effect of Distribution. on the Evaluation of Pharmacologic Data-----16
C.F. Barfknecht, J.F. Caputo, M.B. Tobin, D.C. Dyer, R.T. Standridge, H.G. Howell, W.R. Goodwin, R.A. Partyka, J.A. Gylys, R.L. Cavanagh
Mescaline Analogs: Substitutions at the 4-Position-----27
Ulrich Braun, Gisela Braun, Peyton Jacob III, David E. Nichols, and Alexander T. Shulgin
Defining the Histamine H2-Receptor in Brain: The Interaction with LSD-----38
Jack Peter Green, Harel Weinstein, and Saul Maayani
The Nature of Opioid and LSD Receptors: Structural Activity Relationship Implications-----60
William R. Martin
The Use of Rigid Analogues to Probe Hallucinogen Receptors-----70
David E. Nichols, Herschel J.R. Weintraub, William R. Pfister, and George K.W. Yim
SECTION II. HANSCH ANALYSIS AND OTHER EMPIRICAL METHODS-----84
QSAR: A Critical Appraisal-----86
Sydney Archer
QSAR of Agents Involved in Serotonin and LSD Binding Sites-----103
Y.L. Chan, E.J. Lien, and J.C. Shih
Structure Activity Studies by Means of the SIMCA Pattern Recognition Methodology-----114
J. Dunn and Svante Wold
Quantitative Relationship Between Antinociceptive and Opiate Receptor Affinity: The Importance of Lipophilicity-----129
Arthur E. Jacobson
Quantitative Stereo-Structure-Activity Relationships I. Opiate Receptor Binding-----146
Howard Johnson
Progress With Several Models for the Study of the SAR of Hallucinogenic Agents-----159
Lemont B. Kier and Richard A. Glennon
QSAR of Narcotic Analgetic Agents-----186
E.J. Lien, G.L. Tong, D.B. Srulevitch, and C. Dias
SECTION III. MOLECULAR MECHANICS-----197
Quantitative Structure-Activity Relationships in the 2,4,5- Ring Substituted Phenylisopropylamines-----199
George M. Anderson III, Neal Castagnoli, Jr., and Peter A. Kollman
Assessment of Quantun Mechanical Techniques for Use in Structure Activity Relationship Development, and Application to Analgesics and Other Drugs-----218
B. Vernon Cheney, D. J. Duchamp, Ralph E. Christoffersen
Recent Physicochemical and Quantum Chemical Studies on Drugs of Abuse and Relevant Biomolecules-----250
Joyce J. Kaufman
Structure-Activity Studies of Narcotic Agonists and Antagonists from Quantum Chemical Calculations-----278
Gilda H. Loew, Donald S. Berkowitz, and Stanley K. Burt
An Extended Isolated Molecule Method and Its Applications to the Design of New Drugs: General Aspects-----317
Alfredo M. Simas, Roy E. Bruns, and Richard E. Brown
Recognition and Activation Mechanisms on the LSD/Serotonin Receptor: The Molecular Basis of Structure Activity Relationships-----333
Harel Weinstein, Jack Peter Green, Roman Osman, and W. Daniel Edwards
Conformational Energies and Geometries of Narcotics, Using a Potential Function Method-----359
Mark Froimowitz
Conformational Study of Lysergic Acid Derivatives in Relation to their Hallucinogenic and Antiserotonin Activities-----374
Mahadevappa Kumbar
SECTION IV. SPECTROSCOPIC METHODS-----409
Carbon-13 Nuclear Magnetic Resonance Study of the a- and ยง-Isomers of Methadol and Acetylmethadol Hydrochlorides-----410
F. Ivy Carroll, Charles G. Moreland, George A. Brine, and Karl G. Boldt
Photoelectron Spectroscopic Studies of Hallucinogens: The Use of Ionization Potentials in QSAR-----423
L.N. Domelsmith and K.N. Houk
An Assessment of Parameters in QuaSAR Studies of Narcotic Analgesics and Antagonists-----441
Robert Katz, Steven Osborne, Florin Ionescu, Peter Andrulis, Jr., Robert Bates, William Beavers, Paul C.C. Chou, Gilda Loew, and Donald Berkowitz
Conformational Studies on Phenethylamine Hallucinogens The Role of Alpha Alkyl Substitution-----464
Alexandros Makriyannis and James Knittel
APPENDIX A. QuaSAR Program-----479
APPENDIX B. List of Participants-----482
Research Monograph List-----485
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