Sensory-Chemical Co-Dynamics in Kadsura coccinea: ROAV-Driven Prioritization of Cultivar-Specific Odorants and Mechanistic Validation via Molecular Docking

Lin Wang; Ruiyin Zhang; Huilan Wu; Juan Xie; Qi Tang; Zhen Dong

doi:10.3390/foods14213603

Sensory-Chemical Co-Dynamics in Kadsura coccinea: ROAV-Driven Prioritization of Cultivar-Specific Odorants and Mechanistic Validation via Molecular Docking

Foods. 2025 Oct 23;14(21):3603. doi: 10.3390/foods14213603.

Authors

Lin Wang^{1

2

3}, Ruiyin Zhang⁴, Huilan Wu^{2

5}, Juan Xie⁵, Qi Tang^{2

3}, Zhen Dong^{3

5}

Affiliations

¹ Shiyan Key Laboratory of Biological Resources and Eco-Environmental Protection, College of Chemical and Environmental Engineering, Hanjiang Normal University, Shiyan 442000, China.
² College of Horticulture, Hunan Agricultural University, Changsha 410128, China.
³ Chinese Medicinal Materials Breeding Innovation Centre of Yuelushan Laboratory, Changsha 410128, China.
⁴ College of Biosciences and Technology, Hunan Agricultural University, Changsha 410128, China.
⁵ Hunan Province Key Laboratory of Traditional Chinese Veterinary Medicine, Hunan Agricultural University, Changsha 410128, China.

Abstract

This study deciphered the aroma differences in three Kadsura coccinea cultivars (F023, F054, F055) through integrated volatile-omics and sensory analysis. HS-SPME-GC-MS identified 49 volatiles dominated by sesquiterpenes (65.2-78.4%). ROAV prioritization revealed cultivar-specific drivers: γ-dodecalactone (ROAV = 73.0) defined F054's fruity-floral character; humulene (ROAV = 100) and β-caryophyllene shaped F023's woody-pungent profile; and β-pinene (ROAV = 100) characterized F055's herbaceous freshness. Molecular docking confirmed high-affinity binding of γ-dodecalactone to OR2W1 (ΔG = -6.42 kcal/mol via ASN155 H-bonding). Sensory PCA explained 83.48% of the variance, segregating cultivars along distinct axes (F054: sweet-aromatic; F023: woody-spicy; F055: herbaceous-fresh). Joint PCA validated γ-dodecalactone-coconut milk spatial co-localization (θ < 10°) and β-caryophyllene-woody note correlations (r > 0.9), establishing γ-dodecalactone as a breeding biomarker for aroma-driven cultivar improvement.

Keywords: GC-MS; HS-SPME; Kadsura coccinea; cultivar differentiation; olfactory receptor; volatile organic compounds; γ-dodecalactone.