ArticleFrontiers in chemistry2022
Structure-Activity Relationship Analysis of Flavonoids and Its Inhibitory Activity Against BACE1 Enzyme Toward a Better Therapy for Alzheimer's Disease.
Article in Frontiers in chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed, 12 citations in OpenAlex.
- Elucidating the Neuroprotective Mechanism of 5,7-Dimethoxyflavone and 5,7',4'-Trimethoxyflavone Through In Silico Target Prediction and in Memory-Impaired Mice.Neurochemical research · 2025Article
- Antitumor and cytotoxic activities of endophytic Enterobacter hormaechei derived secondary metabolites: In-vitro and In-silico study.PloS one · 2025Article
- BACE1 Inhibition Utilizing Organic Compounds Holds Promise as a Potential Treatment for Alzheimer's and Parkinson's Diseases.Oxidative medicine and cellular longevity · 2024Article
- Molecular docking analysis of flavonoids with AChE and BACE-1.Bioinformation · 2024Article
- Flavonoid and Chalcone Scaffolds as Inhibitors of BACE1: Recent Updates.Combinatorial chemistry & high throughput screening · 2024Review
- Phytochemical Interactions with Calmodulin and Critical Calmodulin Binding Proteins Involved in Amyloidogenesis in Alzheimer's Disease.Biomolecules · 2023Review
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Drug development in Alzheimer's disease (AD) suffers from a high attrition rate. In 2021, 117 agents tested in phases I and II and 36 agents tested in phase III were discontinued. Natural product compounds may be good lead compounds for AD as they contain functional groups that are important for binding against key AD targets such as β-secretase enzyme (BACE1). Hence, in this study, 64 flavonoids collected from rigorous literature search and screening that have been tested from 2010 to 2022 against BACE1, which interferes in the formation of amyloid plaque, were analyzed. The 64 unique flavonoids can be further classified into five core fragments. The flavonoids were subjected to clustering analysis based on its structure, and each representative of the clusters was subjected to molecular docking. There were 12 clusters formed, where only 1 cluster contained compounds from two different core fragments. Several observations can be made where 1) flavanones with sugar moieties showed higher inhibitory activity compared to flavanones without sugar moieties. The number of sugar moieties and position of glycosidic linkage may also affect the inhibitory activity. 2) Non-piperazine-substituted chalcones when substituted with functional groups with decreasing electronegativity at the
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