Molecular and Quantum Pharmacology - E. Bergmann

. .

Sommaire:
Introductory Remarks on Pharmacological Receptors.- The Adventures of a Quantum-Chemist in the Kingdom of Pharmacophores.- Quantitative Structure-Activity Relationships. An Approach to Drug Design.- Imidazole Tautomerism of Histamine Derivatives.- The Conformation of Histamine, 5-Hydroxytryptamine and Some Related Derivatives in Aqueous Solution.- Molecular Orbital Calculations on Catecholamines; Theory and Experiment.- The Conformation of Catecholamines in Solution.- Molecular Factors and Activity in Psychopharmacologically Active Compounds.- An Approach to Possible Correlations Between Activity and Conformation in Some Classes of Psychotropic Drugs.- Studies of the Conformation in Solution of Molecules Related to Acetylcholine.- Solvent-Dependent Conformational Studies of Acetylcholine and Some Related Molecules.- Theoretical Studies of Solvent Effects on the Conformational Stability of Cholinergic Molecules.- Conformational Isomerism in Drug Action: Does the Free Energy of Binding Induce the Pharmacophoric Conformation of Semi-Rigid Muscarinic Agonists?.- Studies on the Cholinergic Receptor of Squid Optic Ganglia.- Stereochemical Similarities in Chemically Different Antiepileptic Drugs.- Molecular Orbital Calculations on Anti-Epileptic Compounds.- A Conformational Study of Antihistaminic Pheniramines in Solution.- NMR Studies of Solution Conformations of Physiologically Active Amino-Acids.- The Molecular Structures of the Phenothiazine Derivatives, Chlorpromazine, Thiethylperazine and Thioridazine, and a Discussion of the Mechanism of Action.- Conformational Studies on Hormonal Peptides Using Nuclear Magnetic Resonance Spectroscopy.- Conformational Studies of Cyclotetradepsipeptides and Analogues Related to Serratamolide.- Ab Initio Calculations on Large Molecules Using Molecular Fragments. Initial Studies on Prostaglandin PGF1?.- A Molecular Orbital Study of Some Substituted Benzyl Propynyl Ethers as Insecticide Synergists.- The Role of Conformation and Configuration in the Interaction of 4-Phenylpiperidines with Analgetic Receptors.- Quantum Chemical Studies of Morphine-like Opiate Narcotics: Effect of Polar Group Variations.- Calculations on Unstable Conformations of Histamine and Methylhistamines.- Model Studies on the Conformational Lability and Carbon-binding Abilities of Antibiotic Cyclic Depsipeptides.- Conformational Studies of Thyroid Hormones and Analogues.- Intermolecular Interactions in Adenine. Barbiturate Complexes.- Theory of Hydrophobic Bonding. IV: Calculation of Hydrophobic Interactions Between Hydrocarbon Molecules.- A Novel Hydrophobic Parameter for Use in Structure Activity Relationship (SAR) Studies.- Sequence Specificity in the Interaction of Actinomycin D with Deoxydinucleotides as a Model for the Binding of the Drug to DNA.- Structural Properties of Purine and Pyrimidine Analogs.- 31P-Nuclear Magnetic Resonance Study of ATP and ATG-G-Actin: Direct Evidence for P? and P? Involvement in Nucleotide Binding.- Interest of Quantum Mechanical Calculations for the Design of Anticancerous Drugs in the Series of Ellipticines.- Non-Specific Inhalation Stimulants as a Special Case in the Theory of Anesthesia.- Theoretical Studies on the Reaction Mechanism of Cytotoxic Aromatic Nitrogen Mustards.- The Molecular Structure of the Sodium Channel.- On Mechanisms and Treatments of Metal Allergies.- Concluding Remarks.