| Structure-activity relationships of selected pyridines. I. Substituent constant analysis. | |
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MedLine Citation:
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PMID: 3928328 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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Twenty-two four-position derivatives of pyridine (C5H5N) were tested following an acute static regime with biological response being monitored as population growth of Tetrahymena pyriformis. The vinyl derivative was the most active and the hydroxy derivative was the least active. Structure-activity relationships were examined using substituent constants as molecular descriptors. Size/shape parameters and hydrophobic/hydrophilic parameters were found to be more important descriptors than electronic parameters. Following the deletion of the outliers, 4-vinylpyridine and 4-nitropyridine, molar refractivity was found to be the best single descriptor explaining 62.5% of the variability in biological response. Based on highest adjusted r2 value the best model is log BR = 0.0055 (MR) - 0.3699 (Ha) - 1.0124, r2 = 0.709 (BR, biological response; MR, molar refractivity; Ha, hydrogen acceptance). Models using Pi (hydrophobic substituent constant) as the descriptor and comparisons with previously assayed naphthalenes are discussed. |
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Authors:
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T W Schultz; B A Moulton |
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Publication Detail:
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Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S. |
Journal Detail:
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Title: Ecotoxicology and environmental safety Volume: 10 ISSN: 0147-6513 ISO Abbreviation: Ecotoxicol. Environ. Saf. Publication Date: 1985 Aug |
Date Detail:
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Created Date: 1985-10-09 Completed Date: 1985-10-09 Revised Date: 2008-11-21 |
Medline Journal Info:
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Nlm Unique ID: 7805381 Medline TA: Ecotoxicol Environ Saf Country: UNITED STATES |
Other Details:
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Languages: eng Pagination: 97-111 Citation Subset: IM |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Animals Chemistry, Physical Chromatography, Gas Lethal Dose 50 Models, Biological Naphthalenes / toxicity Physicochemical Phenomena Pyridines / analysis, toxicity* Structure-Activity Relationship Tetrahymena pyriformis / drug effects*, growth & development Water Pollutants / toxicity* Water Pollutants, Chemical / toxicity* |
| Chemical | |
Reg. No./Substance:
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0/Naphthalenes; 0/Pyridines; 0/Water Pollutants; 0/Water Pollutants, Chemical |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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