Novel scaffold of natural compound eliciting sweet taste revealed by machine learning

Abstract Sugar replacement is still an active issue in the food industry. The use of structure-taste relationships remains one of the most rational strategy to expand the chemical space associated to sweet taste. A new machine learning model has been setup based on an update of the SweetenersDB and on open-source molecular features. It has been implemented on a freely accessible webserver. Cellular functional assays show that the sweet taste receptor is activated in vitro by a new scaffold of natural compounds identified by the in silico protocol. The newly identified sweetener belongs to the lignan chemical family and opens a new chemical space to explore.

Structure-based virtual screening of bitter taste receptors

Understanding how chemicals code for a certain type of taste is fundamental for the development of a rational method to create new taste modulators. The identification of these new candidates is important for the food industry and would also be beneficial for the pharmacology industry. In humans, the bitter taste depends on a large family of 25 taste receptors type 2 (TAS2Rs) belonging to the G protein-coupled receptor (GPCR) family. They are classified distantly related to class A GPCR and, to date, the experimental structures have not been determined for any TAS2Rs. Here we present a new structure-based virtual screening strategy to expand the chemical space of bitter taste receptors. Com…

Numerical models contribute to expand the sweet taste chemical space

Ces molécules qui éveillent nos papilles

The sense of taste is a chemical sense and one of the most ancestral sensory modalities. It allows detectingand appreciating taste molecules present in our food. Beyond our vital needs, the pleasure elicited from whatwe eat can drive our feeding behaviors sometimes up to excess. Food intake involves several sensorysystems, mainly smell and taste. The underlying molecular mechanisms are relatively complex. This articlefocuses on the extent of the chemical space associated with the five primary tastes (sour, salty, sweet, bitterand umami), and details the fundamental role of gustatory receptors in the perception of taste as well aswithin interindividual variabilities.

Trace amine associated receptors (TAARs) response to amines are largely affected by sequences variants

The Trace Amine Associated Receptors (TAARs) are a family of chemosensory receptors that recognize volatile amines. These receptors are few in number and highly conserved, compared to regular olfactory receptors. Polymorphisms in the TAAR family can have a drastic impact on our perception of amine compounds. Our study combine numerical simulations with in vitro experiments to reveal the activation mechanisms of the human TAAR5 receptor. The study focused on the hTAAR5-S95P polymorphism, which is found at high frequency in Nordic countries. This mutation affects the perception of trimethylamine (TMA), making individuals less able to perceive the smell of rotten fish caused by this molecule. …

Decoding sweet taste from chemical structures

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