ArticleChinese medicine2020
Predictive QSAR model confirms flavonoids in Chinese medicine can activate voltage-gated calcium (CaV) channel in osteogenesis.
Article in Chinese medicine, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed, 16 citations in OpenAlex.
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- Protocatechualdehyde-functionalized BMSC-derived exosomes orchestrate calcium signaling in the immunoinflammatory microenvironment to promote periodontal regeneration.Journal of nanobiotechnology · 2026Article
- Genistein in the Prevention and Treatment of Periodontitis: A Review.Food science & nutrition · 2025Review
- EGCG and Taxifolin Modulate Secretory Activity and Expression of Dentinogenesis Markers in Odontoblast-Like Cells.Scientifica · 2025Article
- Anti-cancer activity elucidation of geissolosimine as an MDM2-p53 interaction inhibitor: An in-silico study.PloS one · 2025Article
- The Protective Activity of Apigenin Against Bone and Cartilage Diseases.Clinical interventions in aging · 2025Review
- Research Progress of Tamarixetin and its Glycosides.Mini reviews in medicinal chemistry · 2024Review
- Bioactivity, Molecular Mechanism, and Targeted Delivery of Flavonoids for Bone Loss.Nutrients · 2023Review
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Authors and funding
3 authors at 1 institution in 1 country.
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No grant is acknowledged in the PubMed record.
Abstract
backgroundFlavonoids in Chinese Medicine have been proven in animal studies that could aid in osteogenesis and bone formation. However, there is no consented mechanism for how these phytochemicals action on the bone-forming osteoblasts, and henceforth the prediction model of chemical screening for this specific biochemical function has not been established. The purpose of this study was to develop a novel selection and effective approach of flavonoids on the prediction of bone-forming ability via osteoblastic voltage-gated calcium (CaV) activation and inhibition using molecular modelling technique.
methodQuantitative structure-activity relationship (QSAR) in supervised maching-learning approach is applied in this study to predict the behavioral manifestations of flavonoids in the CaV channels, and developing statistical correlation between the biochemical features and the behavioral manifestations of 24 compounds (Training set: Kaempferol, Taxifolin, Daidzein, Morin, Scutellarein, Quercetin, Apigenin, Myricetin, Tamarixetin, Rutin, Genistein, 5,7,2'-Trihydroxyflavone, Baicalein, Luteolin, Galangin, Chrysin, Isorhamnetin, Naringin, 3-Methyl galangin, Resokaempferol; test set: 5-Hydroxyflavone, 3,6,4'-Trihydroxyflavone, 3,4'-Dihydroxyflavone and Naringenin). Based on statistical algorithm, QSAR provides a reasonable basis for establishing a predictive correlation model by a variety of molecular descriptors that are able to identify as well as analyse the biochemical features of flavonoids that engaged in activating or inhibiting the CaV channels for osteoblasts.
resultsThe model has shown these flavonoids have high activating effects on CaV channel for osteogenesis. In addition, scutellarein was ranked the highest among the screened flavonoids, and other lower ranked compounds, such as daidzein, quercetin, genistein and naringin, have shown the same descending order as previous animal studies.
conclusionThis predictive modelling study has confirmed and validated the biochemical activity of the flavonoids in the osteoblastic CaV activation.
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