Comprehensive assessment of strawberry genotypic diversity and molecular docking-based evaluation of key polyphenols targeting HMG-CoA reductase

Abstract Background Strawberry fruit quality and biochemical composition are strongly affected by genotype, and this variation is important for both cultivar selection and breeding programs. In addition to yield and market-related traits, the assessment of phytochemical and antioxidant properties has gained importance for defining the nutritional quality of strawberry fruit. Therefore, this study evaluated agronomic traits, fruit quality, phytochemical composition, and antioxidant activity in strawberry cultivars and newly developed F1 genotypes, together with the predicted interactions of selected polyphenols with HMG-CoA reductase. Results Genotype influenced yield, fruit weight, soluble solids, titratable acidity, color traits, organic acids, sugars, phenolic compounds, anthocyanins, and antioxidant activity. Genotypes 50 and 87 produced the highest yields, reaching 852.6 and 818.0 g plant⁻¹, respectively, while ‘Albion’ produced the largest fruits, with an average fruit weight of 27.7 g fruit⁻¹. ‘Sevgi’ stood out for fructose content and soluble solids, indicating a favorable sweetness profile. Pelargonidin-3-glucoside was the predominant anthocyanin in all genotypes and reached its maximum level in Genotype 87 (122.2 mg kg⁻¹ FW). Genotype 299 showed the highest total phenolic content (2224.9 mg GAE kg⁻¹ FW), ellagic acid concentration (40.6 mg kg⁻¹ FW), and antioxidant activity (1685 µmol TE 100 g⁻¹ FW), making it a valuable candidate for phytochemical-oriented breeding. Molecular docking revealed favorable predicted binding affinities of ellagic acid and pelargonidin-3-glucoside toward HMG-CoA reductase (− 9.7 and − 9.5 kcal mol⁻¹, respectively). Conclusions The evaluated strawberry genotypes differed considerably in agronomic performance, fruit quality, and phytochemical composition. Genotypes 50 and 87 appear suitable for yield-oriented selection, whereas Genotype 299 may be useful in breeding strategies aimed at increasing phenolic content and antioxidant capacity. Ellagic acid and pelargonidin-3-glucoside showed favorable predicted interactions with HMG-CoA reductase, an enzyme involved in cholesterol biosynthesis. However, these in silico findings should be validated through enzyme inhibition assays, simulated digestion, bioavailability studies, and further biological tests.