ArticleJournal of computer-aided molecular design1995
Quantitative structure-agonist activity relationship of capsaicin analogues.
Article in Journal of computer-aided molecular design, 1995. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
4 citing papers in PubMed.
- Efficient modulation of γ-aminobutyric acid type A receptors by piperine derivatives.Journal of medicinal chemistry · 2014Article
- Metabolism of N-acylated-dopamine.PloS one · 2014Article
- Synthesis and characterization of novel n-9 fatty acid conjugates possessing antineoplastic properties.Lipids · 2012Article
- Effect of ricinoleic acid in acute and subchronic experimental models of inflammation.Mediators of inflammation · 2000Article
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The MULTIple Computer Automated Structure Evaluation (MULTICASE) methodology has been used to study the quantitative structure-agonist activity relationship of a series of capsaicin agonists. A number of substructures and physiochemical properties of capsaicin analogues were identified as being responsible for high agonist potency. The optimal log P value for the agonist potency as estimated from QSAR analysis is 5.12. It was also found that a cluster of inactive molecules in the database have lipophilicity values below 2.94. Molecular modeling was employed to elucidate the detailed structural features of the pharmacophore of capsaicin analogues. Systematic conformational analysis has shown that the activity of capsaicin analogues strongly depends upon their ability to reach the required conformational profile. Based upon these observations, a three-dimensional pharmacophore model for the capsaicin-receptor interactions is proposed.
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Identifiers
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Registered trials
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