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Chemical Structure–Biological Activity Relationships: Quantitative Approaches
Proceedings of the 3rd Congress of the Hungarian Pharmacological Society, Budapest, 1979
- 1st Edition - October 22, 2013
- Editor: F. Darvas
- Language: English
- Paperback ISBN:9 7 8 - 1 - 4 8 3 1 - 1 5 4 3 - 6
- eBook ISBN:9 7 8 - 1 - 4 8 3 1 - 4 7 8 5 - 7
Chemical Structure-Biological Activity Relationships: Quantitative Approaches, Volume III, documents the proceedings of the 3rd Congress of the Hungarian Pharmacological Society… Read more
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Request a sales quoteChemical Structure-Biological Activity Relationships: Quantitative Approaches, Volume III, documents the proceedings of the 3rd Congress of the Hungarian Pharmacological Society held in Budapest, 1979. This volume focuses on the methodological aspects of QSAR. It also aims to inform the reader about the QSAR research conducted in East-European countries. This volume contains 38 presentations organized into six sections. Several lecturers deal with ""real prediction"" cases, i.e. activity estimation prior to the synthesis of the compounds. A particularly abundant section is devoted to the question of how the receptor models can be built up by means of QSAR calculations. Other sections present mathematical models and algorithms which could be applied to improve further the effectiveness of QSAR calculations. As another unique feature, a separate section treats the quantitative aspects of peptide structure-activity relationships—a field seemingly backward despite its evident importance. Hydrophobicity and its influence on biological potency along with the relationship of steric properties and biological activity are also discussed.
Preface
List of Participants
I. Predictive Application of Quantitative Structure-Activity Relationships: Case Studies
QSAR Optimization of Activity, Selectivity and Lack of Depressivity for a Beta-Adrenergic Blocker. (+)-1-Isopropylamino-3-(5-[(2-Endobicyclo [3.1.0] Hex-6-y1)-Ethylcarbamoy]-2-Thiazolyloc)-Propan-2-ol-Maleate
The Use of QSAR in the Synthesis of Anti-Inflammatory Arylaliphatic Acids
BEL FREE: a New Method for Predicting Biological Activity Using Indicator Variables
Quantitative Structure-Activity Studies on Some Piperidino-Acetanilides
Strategy in Drug Research. Structure-Activity Relationships of 11ß-Substituted Progestational Steroids
II. Utilization of QSAR Tools for Investigating Pharmacon-Receptor Interaction
The Role of Anionic Site Effect in Specificity of Cholinesterases
QSAR of Cholinergic Ligand Interactions
QSAR of the Inhibition of Chymotrypsin by Alkyl Phosphonates
7-Substituted-4-Hydroxyquinoline-3-Carboxylic Acids as Dehydrogenase Enzyme Inhibitors
Receptor Site Mapping by Minimal Steric Differences
A Simple Model of Dynamic Receptor Pattern Generation
Theoretical Investigation of the Inhibition of Norepinephrine Reuptake by Phenylethylamine Analogues
III. Mathematical and Computational Tools in QSAR
Chance Factors in QSAR Studies
Interrelationships between Biological Activities from Parallel Tests in Mass Screening
Sample Selection Methods
Factor Analysis of Clinical Data in the Treatment of Cardiovascular Diseases
The MASCA Model of Pharmacochemistry
IV. Structure-Pharmacokinetic Relationships. Physicochemical and other Parameters in QSAR
Quantitative and Structure-Pharmacokinetic Relationships of Sulfonamides
Structure-Pharmacokinetic Correlation for Ester Prodrugs of Oxazepam
Recalculation of Some STERIMOL Parameters
The Correlation of Biological Activities for Alkyl Substituted Systems
The Non-Additivity of π-Values in the Hydrophil Region
The Evaluation of Steric Factors Connected with the Hydrophobic Behavior of Drug Structures
Some Critical Remarks on the Biagi's Method for the Estimation of Lipophilicity of Substances by Means of TLC
Principal Component Analysis of Partition Coefficients in Different Solvent Systems
V. Peptides: Quantitative Aspects of Structure-Activity Relationships
Investigation of Structure-Activity Relationships with Chromogenic Peptidyl Substrates for Proteases
A Specific QSAR Model for Peptides
Empirical Energy Calculations on Some Conformationally Restricted Analogs of Enkephalin
Stereoselectivity and Affinity of Opioid Receptors for Diastereomeric Enkephalins
Effect of the Amino Acid Environment on Enzymatic Action: The Subtilisin Charge-Relay System
VI. QSAR Studies of Compound Series
QSAR in Toxicology
Synthesis and Structure-Activity Relationships of Oxime Ether Derivatives of Saturated Cyclic Ketones
QSAR in the Group of Erythromycin Derivatives
QSAR Study on Diflubenzuron Analogues by Multivariate Methods
Free-Wilson Approach to New Trimethoprim Congeners
Receptor Site Mapping for Cardiotonic Aglycones by the Minimal Steric Difference Method
Quantitative Structure-Activity Relationships in Organotin Compounds - A Comparison of Different Biological Tests
Quantitative Structure-Activity Analysis of Selected ß-Adrenoceptor Antagonists
Biological Activity Index
Compound Index
Index of QSAR Terms
- No. of pages: 400
- Language: English
- Edition: 1
- Published: October 22, 2013
- Imprint: Pergamon
- Paperback ISBN: 9781483115436
- eBook ISBN: 9781483147857
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