Inhibition of chlorphentermine binding in rat lung: Application of connectivity theory
Identifieur interne : 003817 ( Main/Exploration ); précédent : 003816; suivant : 003818Inhibition of chlorphentermine binding in rat lung: Application of connectivity theory
Auteurs : Rodney F. Minchin [Australie] ; Barry W. Madsen [Australie]Source :
- Life Sciences [ 0024-3205 ] ; 1980.
English descriptors
- Teeft :
- Atomic valencies, Average valence, Biological activity, Chem, Chemical compounds, Chlorphentermine, Chlorphentermine binding, Chlorphentermlne binding, Connectivity, Connectivity theory, Cyclic, Cyclic substructures, Hydrogen atoms, Independent variables, Index order, Ionisation constants, Kier, Lung homogenates, Molecular connectivity, Molecular substructures, Multicyclic compounds, Order index, Pathway, Percent inhibition, Pharm, Pharmacol, Present study, Propranolol, Ring substructures, Structural requirements, Substructure, Valence, Valence atoms, Valency.
Abstract
Abstract: Using the recently developed theory of molecular connectivity, the structural requirements of compounds inhibiting the binding of chlorphentermine in rat lung were examined. Only two indices, 4χpνand7χpν, were necessary to adequately describe the activity of the set of compounds considered. Further analysis of the factors determining the values of the indices revealed that the magnitude of each index was directly related to the number of pathways and inversely related to the atomic valencies constituting the indices. The relative number of pathways was found to be a function of the degree of cyclisation and substitution on or near the cyclic substructures. The effect of atomic valencies on index values was conveniently examined by introducing an ‘average valence’ term iδpν. It was concluded firstly that inhibition of chlorphentermine binding in rat lung was greatest for multicyclic compounds with low valence atoms substituted on or near the ring substructures, and secondly that the ability of the connectivity theory to define the activity of a relatively non-homogeneous data set indicates its potential in quantitative structure-activity studies.
Url:
DOI: 10.1016/0024-3205(80)90027-2
Affiliations:
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Minchin</name><affiliation wicri:level="1"><country xml:lang="fr">Australie</country><wicri:regionArea>Department of Pharmacology University of Western Australia Western Australia, 6009</wicri:regionArea><wicri:noRegion>6009</wicri:noRegion></affiliation><affiliation wicri:level="1"><country xml:lang="fr">Australie</country><wicri:regionArea>Faculty of Medicine University of Newcastle New South Wales</wicri:regionArea></affiliation></author><author><name sortKey="Madsen, Barry W" sort="Madsen, Barry W" uniqKey="Madsen B" first="Barry W." last="Madsen">Barry W. Madsen</name><affiliation wicri:level="1"><country xml:lang="fr">Australie</country><wicri:regionArea>Department of Pharmacology University of Western Australia Western Australia, 6009</wicri:regionArea><wicri:noRegion>6009</wicri:noRegion></affiliation><affiliation wicri:level="1"><country xml:lang="fr">Australie</country><wicri:regionArea>Faculty of Medicine University of Newcastle New South Wales</wicri:regionArea></affiliation></author></analytic><monogr></monogr><series><title level="j">Life Sciences</title><title level="j" type="abbrev">LFS</title><idno type="ISSN">0024-3205</idno><imprint><publisher>ELSEVIER</publisher><date type="published" when="1980">1980</date><biblScope unit="volume">27</biblScope><biblScope unit="issue">12</biblScope><biblScope unit="page" from="1041">1041</biblScope><biblScope unit="page" to="1046">1046</biblScope></imprint><idno type="ISSN">0024-3205</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0024-3205</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="Teeft" xml:lang="en"><term>Atomic valencies</term><term>Average valence</term><term>Biological activity</term><term>Chem</term><term>Chemical compounds</term><term>Chlorphentermine</term><term>Chlorphentermine binding</term><term>Chlorphentermlne binding</term><term>Connectivity</term><term>Connectivity theory</term><term>Cyclic</term><term>Cyclic substructures</term><term>Hydrogen atoms</term><term>Independent variables</term><term>Index order</term><term>Ionisation constants</term><term>Kier</term><term>Lung homogenates</term><term>Molecular connectivity</term><term>Molecular substructures</term><term>Multicyclic compounds</term><term>Order index</term><term>Pathway</term><term>Percent inhibition</term><term>Pharm</term><term>Pharmacol</term><term>Present study</term><term>Propranolol</term><term>Ring substructures</term><term>Structural requirements</term><term>Substructure</term><term>Valence</term><term>Valence atoms</term><term>Valency</term></keywords></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Abstract: Using the recently developed theory of molecular connectivity, the structural requirements of compounds inhibiting the binding of chlorphentermine in rat lung were examined. Only two indices, 4χpνand7χpν, were necessary to adequately describe the activity of the set of compounds considered. Further analysis of the factors determining the values of the indices revealed that the magnitude of each index was directly related to the number of pathways and inversely related to the atomic valencies constituting the indices. The relative number of pathways was found to be a function of the degree of cyclisation and substitution on or near the cyclic substructures. The effect of atomic valencies on index values was conveniently examined by introducing an ‘average valence’ term iδpν. It was concluded firstly that inhibition of chlorphentermine binding in rat lung was greatest for multicyclic compounds with low valence atoms substituted on or near the ring substructures, and secondly that the ability of the connectivity theory to define the activity of a relatively non-homogeneous data set indicates its potential in quantitative structure-activity studies.</div></front></TEI><affiliations><list><country><li>Australie</li></country></list><tree><country name="Australie"><noRegion><name sortKey="Minchin, Rodney F" sort="Minchin, Rodney F" uniqKey="Minchin R" first="Rodney F." last="Minchin">Rodney F. Minchin</name></noRegion><name sortKey="Madsen, Barry W" sort="Madsen, Barry W" uniqKey="Madsen B" first="Barry W." last="Madsen">Barry W. Madsen</name><name sortKey="Madsen, Barry W" sort="Madsen, Barry W" uniqKey="Madsen B" first="Barry W." last="Madsen">Barry W. Madsen</name><name sortKey="Minchin, Rodney F" sort="Minchin, Rodney F" uniqKey="Minchin R" first="Rodney F." last="Minchin">Rodney F. Minchin</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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