Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships.

@article{Kortagere2008HalogenatedLA,
  title={Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships.},
  author={Sandhya Kortagere and Sean Ekins and William J. Welsh},
  journal={Journal of molecular graphics & modelling},
  year={2008},
  volume={27 2},
  pages={170-7}
}
The properties of chemicals are rooted in their molecular structure. It follows that structural analysis of specific interactions between ligands and biomolecules at the molecular level is invaluable for defining structure-activity relationships (SARs) and structure-toxicity relationships (STRs). This study has elucidated the structural and molecular basis of interactions of biomolecules with alkyl and aryl halides that are extensively used as components in many commercial pesticides… CONTINUE READING

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References

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Showing 1-10 of 53 references

The Protein Data Bank.

Nucleic acids research • 2000
View 8 Excerpts
Highly Influenced

Halogen bonds in biological molecules.

Proceedings of the National Academy of Sciences of the United States of America • 2004
View 3 Excerpts
Highly Influenced

Crystal structure of the toluene/oxylene monooxygenase hydroxylase from pseudomonas stutzeri OX1: insight into the substrate specificity

M. H. Sazinsky, J. Bard, A. Di Donato, S. J. Lippard
substrate channeling, and active site tuning of multicomponent monooxygenases, J. Biol. Chem. 279 (29) • 2004
View 1 Excerpt

H

S. Kortagere, P. Gmeiner
Weinstein, J.A. Schetz, Certain 1,4-disubstituted aromatic piperidines and piperazines with extreme selectivity for the dopamine D4 receptor interact with a common receptor microdomain, Mol. Pharmacol. 66 (6) • 2004
View 1 Excerpt

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