ArticleAdvances and applications in bioinformatics and chemistry : AABC2024
Investigating the Potency of Erythrina‒Derived Flavonoids as Cholinesterase Inhibitors and Free Radical Scavengers Through in silico Approach: Implications for Alzheimer's Disease Therapy.
Article in Advances and applications in bioinformatics and chemistry : AABC, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Development of Novel Inhibitors for Alzheimer's Disease fromACS omega · 2026Article
- Identification of α-glucosidase inhibitory phytochemicals from Erythrina crista-galli using combined experimental and computational methods.BMC chemistry · 2026Article
- In vitro and in silico evaluation of flavonoids from Erythrina crista-galli with cytotoxic potential against MCF-7 breast cancer cell.Scientific reports · 2025Article
- Metabolite profiling and free radical scavenging activity studies of alkaloids from Erythrina crista-galli twigs through in vitro and in silico analysis.Scientific reports · 2025Article
- Coumarins fromOncoTargets and therapy · 2025Article
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Authors and funding
5 authors.
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Abstract
Purpose: This study aimed to evaluate the potency of 471 flavonoids from the genus Methods: A total of 471 flavonoids from the genus Results: A combination of molecular docking and in silico toxicity screening led to the identification of 2(S)‒5,7‒dihydroxy‒5'‒methoxy‒[2'',2''‒(3''‒hydroxy)‒dimethylpyrano]‒(5'',6'':3',4') flavanone (89) and Abyssinoflavanone IV (83) as potential AChE inhibitors. These compounds had stable binding to AchE and exhibited lower Root Mean Square Deviation (RMSD) values compared to the apo state of AChE. In addition, Molecular Mechanics Generalized Born Surface Area (MMGBSA) analysis revealed that the binding energies of 89 and 83 were significantly lower compared to acetylcholine, the natural substrate of AChE. Based on DFT study, these compounds exhibited a higher energy in the highest occupied molecular orbital (E Conclusion: Although this study primarily relied on computational methods, the results showed the dual functionality of compounds 89 and 83 as both potential AChE inhibitors and free radical scavengers. Further investigation in wet laboratory experiments is required to validate their therapeutic potential for AD.
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