ArticleInternational journal of molecular sciences2022
Dual Inhibitors of AChE and BACE-1 for Reducing Aβ in Alzheimer's Disease: From In Silico to In Vivo.
Article in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Oxidative Stress in Alzheimer's Disease: Can Dietary Interventions Provide Neuroprotection?Nutrients · 2026Review
- Polydatin inhibits hippocampal neurodegeneration in diabetic rats via modulation of oxidative stress and NF-kB/COX-2/IL-6 inflammatory pathway.Metabolic brain disease · 2026Article
- Key Chemotypes for the Rational Design of Dual AChE/BACE-1 Inhibitors.Current medicinal chemistry · 2026Review
- An Insight into Medicinal Chemistry and SAR Studies of Cholinesterase and BACE-1 Inhibitors for Alzheimer's Disease.CNS & neurological disorders drug targets · 2026Review
- Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer's Disease.Molecules (Basel, Switzerland) · 2025Review
- New and potential boron-containing compounds for treatment of Alzheimer's disease and cancers.Future medicinal chemistry · 2025Article
- Exploring Nepicastat Activity: Beyond DβH.International journal of molecular sciences · 2025Article
- Unveiling the molecular mechanisms of Danggui-Shaoyao-San against Alzheimer's disease in APP/PS1 mice via integrating proteomic and metabolomic approaches.Alzheimer's research & therapy · 2024Article
- The link between amyloid β and ferroptosis pathway in Alzheimer's disease progression.Cell death & disease · 2024Article
- Recent advances in Alzheimer's disease: Mechanisms, clinical trials and new drug development strategies.Signal transduction and targeted therapy · 2024Review
- Pregnenolone derivatives for the treatment of Alzheimer's disease: synthesis, andRSC advances · 2024Article
- Alternatives of Animal Models for Biomedical Research: a Comprehensive Review of Modern Approaches.Stem cell reviews and reports · 2024Review
- Explaining Multiclass Compound Activity Predictions Using Counterfactuals and Shapley Values.Molecules (Basel, Switzerland) · 2023Article
- Activity Models of Key GPCR Families in the Central Nervous System: A Tool for Many Purposes.Journal of chemical information and modeling · 2023Article
- Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer's Disease.Molecules (Basel, Switzerland) · 2023Article
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Authors and funding
13 authors.
Funding
Abstract
Alzheimer's disease (AD) is a complex and widespread condition, still not fully understood and with no cure yet. Amyloid beta (Aβ) peptide is suspected to be a major cause of AD, and therefore, simultaneously blocking its formation and aggregation by inhibition of the enzymes BACE-1 (β-secretase) and AChE (acetylcholinesterase) by a single inhibitor may be an effective therapeutic approach, as compared to blocking one of these targets or by combining two drugs, one for each of these targets. We used our ISE algorithm to model each of the AChE peripheral site inhibitors and BACE-1 inhibitors, on the basis of published data, and constructed classification models for each. Subsequently, we screened large molecular databases with both models. Top scored molecules were docked into AChE and BACE-1 crystal structures, and 36 Molecules with the best weighted scores (based on ISE indexes and docking results) were sent for inhibition studies on the two enzymes. Two of them inhibited both AChE (IC
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Registered trials
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