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BioAssay: AID 26797

Partition coefficient (logP)

Bitter thresholds of a total of 93 amino acids, peptides, and their derivatives were analyzed quantitatively by use of hydrophobicity parameters reported for amino acid side chains and those for the whole molecules estimated from partition coefficients obtained experimentally. We also explored the steric parameters that best explained the variation in the intensity of bitterness attributable to more ..
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 Tested Compounds
 Tested Compounds
All(120)
 
 
Unspecified(120)
 
 
 Tested Substances
 Tested Substances
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Unspecified(120)
 
 
 Related BioAssays
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AID: 26797
Data Source: ChEMBL (23920)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2010-05-21
Modify Date: 2013-04-29

Data Table ( Complete ):           All
Tested Compounds:
Description:
Title: Quantitative structure-activity relationships of the bitter thresholds of amino acids, peptides, and their derivatives.

Abstract: Bitter thresholds of a total of 93 amino acids, peptides, and their derivatives were analyzed quantitatively by use of hydrophobicity parameters reported for amino acid side chains and those for the whole molecules estimated from partition coefficients obtained experimentally. We also explored the steric parameters that best explained the variation in the intensity of bitterness attributable to the molecular shape. The results showed that the total length along the zigzag peptide backbone chain of the molecule is an important factor. The bitterness of nonzwitterionic N-acyl and ester derivatives and that of neutral N-acyl ester derivatives were expressed by a single, common equation together with those of zwitterionic amino acids and peptides. Thus the interaction via the charge with the receptor site was probably not an indispensible factor for triggering of the bitter sensation. This study, together with earlier ones, may serve as a prototype of approaches toward unraveling structure-activity relationships of complex molecules like amino acids, peptides, and their derivatives that are of medicinal or agricultural importance.
(PMID: 3656360)
Comment
Putative Target:

ChEMBL Target ID: 22224
Target Type: ADMET
Pref Name: ADMET
Confidence: Default value - Target unknown or has yet to be assigned
Relationship Type: Default value - Target has yet to be curated
Categorized Comment
ChEMBL Assay Type: ADMET

ChEMBL Assay Data Source: Scientific Literature

Result Definitions
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1LogP activity commentLogP activity commentString
2LogP standard flagLogP standard flagInteger
3LogP qualifierLogP qualifierString
4LogP published valueLogP published valueFloat
5LogP standard valueLogP standard valueFloat

Data Table (Concise)
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