Fig. 7 | Scientific Reports

Fig. 7

From: Unraveling molecular mechanisms of cigarette smoke bitterness via chemical profiling and bitter taste receptor activation analysis

Fig. 7

Molecular docking of key bitter compounds in MCS with TAS2R14. (A) Predicted binding pockets of TAS2R14. The two main binding pockets colored in green and blue respectively, were predicted using the DoGSiteScorer function in the ProteinsPlus server (https://proteins.plus/). (B & C) Docking pose of nicotine with TAS2R14. (D & E) Docking pose of succinimide with TAS2R14. (F & G) Docking pose of scopoletin with TAS2R14. All structures were visualized using PyMol software (version 2.5.4).

Back to article page