Revealing the mechanism of shaking/tumbling driving Wuyi rock tea Rougui to “fade green odor and reveal aroma” based on metabolomics and molecular docking technology

Shaking/tumbling (TS) is a key process for shaping the characteristic aroma of tea, but the mechanism driving aroma transformation is still unclear. This study systematically analyzed the dynamic changes of volatile organic compounds (VOCs) and their interaction mechanisms with human olfactory receptors during the TS process. Research found that TS drove the directional transformation of tea aroma from green to fruity and creamy, and six characteristic VOCs were screened. Molecular docking analysis revealed that the binding energy of 3,4-dimethyl-1,5-cyclooctadiene, a green substance, to the receptor OR5M1 was the lowest (-7.6 kcal/mol) and the binding receptor spectrum was the widest (129 types), revealing the high sensitivity of the human body to its perception and the scientific connotation of the traditional experience of "fading green odor and revealing aroma". This study provides important theoretical basis for the precise regulation and process optimization of the aroma quality of Wuyi rock tea.