Abstract：
:Capsaicinoids and capsinoids from dietary peppers have promising sensory properties and bioactivity, but the molecular basis of their penetration mechanism through cell lipid bilayers and its relationship to their bioavailability as food constituents are still poorly understood. Herein, statistically significant linear and quadratic quantitative structure-activity relationships were constructed to derive the essential structural elements required for their bioactivity against the elongation of etiolated wheat coleoptiles that mainly occurs via penetration. The resultant optimal models had high predictivity and reliability (r2 > 0.825 and r2pred > 0.950), which elucidate the importance of steric structural elements. Besides, their mechanistic hypothesis and rational design strategy were proposed, and the correlation between this bioactivity and their food-sensory properties was supposed. Finally, the bioactivity of newly designed analogs with methyl terminals and/or conjugated CC links was screened. Hopefully, this work would benefit the better understanding of their penetration mechanism and facile identification of bioactive analogs for designing food/drug formulations.
journal_name
Food Chemjournal_title
Food chemistryauthors
Chen K,Qian Y,Ge Z,Chen H,Qian C,Li Y,Chen Zdoi
10.1016/j.foodchem.2019.125229subject
Has Abstractpub_date
2019-12-15 00:00:00pages
125229eissn
0308-8146issn
1873-7072pii
S0308-8146(19)31337-8journal_volume
301pub_type
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