Details
| Original language | English |
|---|---|
| Pages (from-to) | 2200-2210 |
| Number of pages | 11 |
| Journal | Journal of the Science of Food and Agriculture |
| Volume | 106 |
| Issue number | 4 |
| Publication status | Published - 4 Feb 2026 |
Abstract
BACKGROUND: Cacti, including pitaya (Hylocereus spp.), are rich in antioxidants that will undoubtedly gain importance under ongoing climate change as water resources decline. Yet the molecular basis linking composition to antioxidant function remains incompletely defined. We compared white-fleshed H. undatus and red-fleshed H. polyrhizus across physicochemical traits, integrating correlation, principal component analysis, and molecular docking to a human iron-regulatory protein (IRP1). RESULTS: White-fleshed fruits were larger and heavier (length 103.4 mm; width 60.2 mm; weight 204.7 g) than red-fleshed (71.9 mm; 54.5 mm; 126.3 g). Conversely, red-fleshed fruits showed higher total soluble solids (13.47 vs. 9.60 °Brix), total phenolics (379.7 vs. 183.0 mg L−1), total flavonoids (303.7 vs. 147.3 mg L−1), and antioxidant activity (52.3% vs. 30.0%). Organic acids and phenolics differed by species (e.g., higher citric acid in red; higher malic acid in white). Correlations indicated that greater soluble sugars were associated with higher phenolic accumulation, consistent with the elevated antioxidant capacity of red-fleshed fruit. The first two principal components explained 83.3% of the total variance (PC1 = 68.8%, PC2 = 14.5%) and separated samples along size/°Brix versus phenolic/ antioxidant axes. Docking predicted favorable binding of major acids and phenolics to IRP1, suggesting plausible antioxidant mechanisms. CONCLUSION: Findings support species-specific use, with red-fleshed H. polyrhizus serving as a nutrient-dense source of antioxidant compounds, while white-fleshed H. undatus offers advantageous pomological traits. Integrating compositional profiling with multivariate analysis and docking provides mechanistic context and practical implications for breeding, climate-resilient cultivation, and industrial applications.
Keywords
- antioxidant activity, in silico, multivariate analysis, organic acids, phenolics
ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)
- Biotechnology
- Agricultural and Biological Sciences(all)
- Food Science
- Agricultural and Biological Sciences(all)
- Agronomy and Crop Science
- Nursing(all)
- Nutrition and Dietetics
Sustainable Development Goals
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In: Journal of the Science of Food and Agriculture, Vol. 106, No. 4, 04.02.2026, p. 2200-2210.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Comparative analysis of pomological and phytochemical characteristics in white- and red-fleshed pitaya (Hylocereus spp.), with molecular docking insights into key bioactive compounds
AU - Mertoglu, Kerem
AU - Fischer, Annik
AU - Zargarchi, Sina
AU - Durul, Melekber Sulusoglu
AU - Köpsel, Magdalena
AU - Aytar, Erdi Can
AU - Bulduk, Ibrahim
AU - Kaki, Barıs
AU - Esatbeyoglu, Tuba
N1 - Publisher Copyright: © 2025 The Author(s). Journal of the Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
PY - 2026/2/4
Y1 - 2026/2/4
N2 - BACKGROUND: Cacti, including pitaya (Hylocereus spp.), are rich in antioxidants that will undoubtedly gain importance under ongoing climate change as water resources decline. Yet the molecular basis linking composition to antioxidant function remains incompletely defined. We compared white-fleshed H. undatus and red-fleshed H. polyrhizus across physicochemical traits, integrating correlation, principal component analysis, and molecular docking to a human iron-regulatory protein (IRP1). RESULTS: White-fleshed fruits were larger and heavier (length 103.4 mm; width 60.2 mm; weight 204.7 g) than red-fleshed (71.9 mm; 54.5 mm; 126.3 g). Conversely, red-fleshed fruits showed higher total soluble solids (13.47 vs. 9.60 °Brix), total phenolics (379.7 vs. 183.0 mg L−1), total flavonoids (303.7 vs. 147.3 mg L−1), and antioxidant activity (52.3% vs. 30.0%). Organic acids and phenolics differed by species (e.g., higher citric acid in red; higher malic acid in white). Correlations indicated that greater soluble sugars were associated with higher phenolic accumulation, consistent with the elevated antioxidant capacity of red-fleshed fruit. The first two principal components explained 83.3% of the total variance (PC1 = 68.8%, PC2 = 14.5%) and separated samples along size/°Brix versus phenolic/ antioxidant axes. Docking predicted favorable binding of major acids and phenolics to IRP1, suggesting plausible antioxidant mechanisms. CONCLUSION: Findings support species-specific use, with red-fleshed H. polyrhizus serving as a nutrient-dense source of antioxidant compounds, while white-fleshed H. undatus offers advantageous pomological traits. Integrating compositional profiling with multivariate analysis and docking provides mechanistic context and practical implications for breeding, climate-resilient cultivation, and industrial applications.
AB - BACKGROUND: Cacti, including pitaya (Hylocereus spp.), are rich in antioxidants that will undoubtedly gain importance under ongoing climate change as water resources decline. Yet the molecular basis linking composition to antioxidant function remains incompletely defined. We compared white-fleshed H. undatus and red-fleshed H. polyrhizus across physicochemical traits, integrating correlation, principal component analysis, and molecular docking to a human iron-regulatory protein (IRP1). RESULTS: White-fleshed fruits were larger and heavier (length 103.4 mm; width 60.2 mm; weight 204.7 g) than red-fleshed (71.9 mm; 54.5 mm; 126.3 g). Conversely, red-fleshed fruits showed higher total soluble solids (13.47 vs. 9.60 °Brix), total phenolics (379.7 vs. 183.0 mg L−1), total flavonoids (303.7 vs. 147.3 mg L−1), and antioxidant activity (52.3% vs. 30.0%). Organic acids and phenolics differed by species (e.g., higher citric acid in red; higher malic acid in white). Correlations indicated that greater soluble sugars were associated with higher phenolic accumulation, consistent with the elevated antioxidant capacity of red-fleshed fruit. The first two principal components explained 83.3% of the total variance (PC1 = 68.8%, PC2 = 14.5%) and separated samples along size/°Brix versus phenolic/ antioxidant axes. Docking predicted favorable binding of major acids and phenolics to IRP1, suggesting plausible antioxidant mechanisms. CONCLUSION: Findings support species-specific use, with red-fleshed H. polyrhizus serving as a nutrient-dense source of antioxidant compounds, while white-fleshed H. undatus offers advantageous pomological traits. Integrating compositional profiling with multivariate analysis and docking provides mechanistic context and practical implications for breeding, climate-resilient cultivation, and industrial applications.
KW - antioxidant activity
KW - in silico
KW - multivariate analysis
KW - organic acids
KW - phenolics
UR - http://www.scopus.com/inward/record.url?scp=105022830435&partnerID=8YFLogxK
U2 - 10.1002/jsfa.70322
DO - 10.1002/jsfa.70322
M3 - Article
AN - SCOPUS:105022830435
VL - 106
SP - 2200
EP - 2210
JO - Journal of the Science of Food and Agriculture
JF - Journal of the Science of Food and Agriculture
SN - 0022-5142
IS - 4
ER -