Pesticides structure-activity relationships

I. Pesticides—Synthesis—Congresses. 2. Pesticides— Structure-activity relationships—Congresses. 

Sawicki RM, Denholm I, Famham AW, Murray AWA (1986) Structure-activity relationship to pyrethroid insecticides in houseflies (Musca domestica L.) with kdr and super-kdr. Sixth International Congress Pesticide Chemistry, Ottawa, Canada, Abstract 3E-25... 

A Quantitative Structure-Activity Relationship Approach to Pesticide Design... 

For years, we have been studying QSAR (quantitative structure-activity relationship) analyses of pesticides and other bioactive compounds. In many examples, we have found a decisive role of the steric effect in determining the activity variation. In this chapter, applications of various steric constants such as E E°, Vw and STERIMOL parameters to QSAR studies mostly from our own laboratory are reviewed. 

Role of structure-activity relationship analysis in evaluation of pesticides for potential carcinogenicity, in Carcinogenicity and Pesticides, ACS Symposium Series, No. 414... 

Benfenati E. (ed.) (2006) Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes, Elsevier, Amsterdam. 

In addition to their potential as antitumor agents, acetogenins have great potential as natural "organic" pesticides (Mikolajczak et al., 1988,1989 McLaughlin et al., 1997). Bullata-cin (1) and trilobacin (3) (see Figure 13.1) were more potent than rotenone, a classic complex I mitochondrial inhibitor, in a structure-activity relationship (SAR) study using yellow fever mosquito (YFM) larvae (He et al., 1997). 

Quantitative Structure-Activity Relationship Design. Increasing economic pressures toward more, better, and cheaper pesticides have led to ihe development and application of the Quantitative Structure-Activity Relationship IQSARl paradigm and related experimental design principles for pesticides. Theoretically, quantitative delenninulion of the relationships between chemical structure and hiological and environmental properties of... 

Fisher, S.W., Lydy, M.J., Barger, J., Landrum, P.F. (1993) Quantitative structure-activity relationships for predicting the toxicity of pesticides in aquatic systems with sediment. Environ. Toxicol. Chem. 12, 1307-1318. 

U.S. Environmental Protection Agency, U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure-Activity Relationships (EPA 743-R-94-001), Office of Prevention, Pesticides, and Toxic Substances, Washington D.C., 1994, available electronically from www.epa.gov/opptintr/newchems/ sar report.pdf... 

The author originally reviewed three important aspects of semiochemical research that has been discussed in Volume 9. They are as follows (1) determination of structure including the absolute configuration of bioactive natural products, (2) problems of biological homochirality, and (3) study of structure—activity relationships to invent mimics of bioactive small molecules so as to utilize them as pesticides or medicinals. 

Molecules of similar biochemical activity often show common 3D shape features. Consequently, the characterization of the shapes of formal molecular bodies and the recognition, description, and, ultimately, the numerical evaluation of similarity among molecules are of major importance in modern pharmaceutical research, as well as in pesticide and herbicide chemistry. The analysis of molecular shape is an important component of research aimed at the elucidation of drug-receptor interactions and in studies of quantitative structure-activity relationships in contemporary drug design. 

Hansen OC. Quantitative structure-activity relationships (QSAR) and pesticides. Danish Environmental Protection Agency, Pesticides research 94. 2004. 

Benfenati E. Quantitative structure-activity relationship (QSAR) for regulatory purpose The pesticide case. Amsterdam Elsevier, 2007. 

OECD (2004). OECD principles for the validation, for regulatory purposes, of (quantitative) structure-activity relationship models. 37th Joint Meeting of the Chemicals Committee and Working Party on Chemicals, Pesticides and Biotechnology in November 2004, http //www.oecd.org/datao-ecd/33/37/37849783.pdf, 1-2. 

Hubele, A Kunz, W. Eckhardt, W. Sturm, E. In Pesticide chemistry Human Welfare and the Environment Vol.l Synthesis and Structure-Activity Relationships Doyle, P Tujita T.,... 

Role of Structure—Activity Relationship Analysis in Evaluation of Pesticides for Potential Carcinogenicity... 

Structure-activity relationship (SAR) analysis is essential for the development of pesticides and for the evaluation of cancer hazard and risk assessment. The critical factors that should be considered in SAR analysis and the profile of typical potent carcinogens are discussed. A scheme combining structural and functional criteria for suspecting chemical compounds of carcinogenic activity is presented. Selected classes of pesticides with carcinogenic potential are reviewed to exemplify structural and/or functional features responsible for their carcinogenic activity. 

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