Rational Approaches to Structure, Activity, and Ecotoxicology of Agrochemicals
This book presents discussions of the most important aspects in the development of agrochemicals. The book covers such broad areas as structure activity and ecotoxicological analyses in comprehensive reviews for general methods and chronicles for individual examples. Topics in structure-activity relationships include how to combine submolecular structures of pharmacological interests and modify them according to chemorational models with computer-aided procedures such as the traditional Hansch-type QSAR, the sequential, simplex optimization, and molecular modeling. Topics in the ecotoxicology of organo phosphorus compounds are discussed in terms of the quantitative structure-toxicity relationship (QSTR). Chronicles of molecular orbital methodology in predicting environmental fates of agrochemicals are also provided.
This volume will be invaluable for researchers in the agrochemical and pharmaceutical industries.
Table of Contents
GENERAL METHODS. Sequential Simplex Optimization Strategies in Agrichemical/Drug Design (Ernest L. Plummer). Principles and Usage of Steric Parameters in Correlation Analysis of Pesticides (Carlo Silipo and Antonio Vittoria). Novel Ways to Factor the Bioresponse Data of Drugs, Toxicants and Agrochemicals (Philip S. Magee). A Chemorational Approach to Agrochemicals: The Trifluoromethylpyridinyl Group as a Building Block (Takahiro Haga). APPLICATIONS. INSECTICIDES. QSAR and Rational Design of Insecticides (George Holan and David A. Winkler). Rational Approaches to Finding Agrochemical Leads (Morifuso Eto). Physical-Organic Concepts in Structure-Activity Relationships in the Development of Insecticides (T.R. Fukuto and S. Keadtisuke). Structure Evolutions of Synthetic Pyrethroid Insecticides in Correlational Views Guided by Template Procedure as Applied to Natural Product Models with High Structural Multiplicity (Hirosukle Yoshioka). Transition State Analog Enzyme Inhibitors: Structure-Activity Relationships of Trifluoromethyl Ketones (András Scékács, Barna Bordás, and Bruce D. Hammock). Design of Proinsecticides (Noriharo Umetso). HERBICIDES. Structure-Activity Studies of Photosynthesis Inhibitors (Wilfried Draber). Application of the Hansch-Fujita Method to the Design of Amide and Urea Herbicides (Chiyozo Takayama, Katsuzo Kamoshita, Akira Fujinami and Osuma Kirino). Development and Analysis of QSAR Models for Generating Pesticidal Synthesis Programs (Barrington Cross and David W. Ladner). Chemical Structure and Activity of Herbicidal Inhibitors of Phytoene Desaturase (Gerhard Sandmann and Peter Böger). Structure-Activity Relationships of Sulfonylurea Herbicides (Tariq A. Andrea, Steven P. Artz, Thomas B. Ray, and Robert J. Pasteris). Cyclohexanedione Herbicides: Their Activities and Properties (Isao Iwataki). FUNGICIDES. Application of the Hansch-Fujita Method to the Design of Imide and Carbamate Fungicides (Katsuzo Kamoshita, Chiyozo Takayama, Junya Takahashi, and Akira Fujinami). Quantitative Structure-Activity Relationships and Molecular Graphics Study of Triflumizole and Related Fungicidal Imidazoles (Akira Nakayama). QSAR of 1 N-Substituted Azoles Active against Botrytis Cinerea (Takahiro Kataoka). ECOTOXICOLOGY. Exotoxicology and Structure-Activity Studies of Organophosphorus Compounds (Gerrit Schüürmann). Application of Molecular Orbital Calculations to the Estimation of Environmental and Metabolic Fates of Pesticides (Toshiyuki Katagi). INDEX.