Combining Lipinski’s rule with the docking and steered molecular dynamics simulations and using the PubChem data base of about 1.4 million compounds, we have obtained DNA dyes Hoechst 34580 and Hoechst 33342 as top-leads for the Alzheimer’s disease. The binding properties of these ligands to amyloid beta (Aβ) fibril were thoroughly studied by in silico and in vitro experiments. Hoechst 34580 and Hoechst 33342 prefer to locate near hydrophobic regions with binding affinity mainly governed by the van der Waals interaction. By the Thioflavin T assay, it was found that the inhibition constant IC50 ≈ 0.86 and 0.68 μM for Hoechst 34580 and Hoechst 33342, respectively. This result qualitatively agrees with the binding free energy estimated using the molecular mechanic-Poisson Boltzmann surface area method and all-atom simulations with the AMBER-f99SB-ILDN force field and water model TIP3P. In addition, DNA dyes have the high capability to cross the blood brain barrier. Thus, both in silico and in vitro experiments have shown that Hoechst 34580 and 33342 are good candidates for treating the Alzheimer’s disease by inhibiting Aβ formation.
This study proposes a low-cost, wearable multimodal system for comprehensive cardiovascular monitoring, integrating electrocardiogram (ECG), phonocardiogram (PCG), and photoplethysmogram (PPG) signals. By leveraging the complementary strengths of these modalities, the system extracts key physiological markers: pre-ejection period (PEP) from ECG–PCG fusion to assess myocardial electromechanical timing; pulse transit time (PTT) from PCG–PPG fusion to reflect arterial stiffness; and pulse arrival time (PAT) from ECG–PPG fusion to characterize heart–arterial coupling. Experimental results show that PEP is significantly associated with body mass index (BMI) but not age, suggesting that age-related changes primarily affect the arterial system rather than myocardial function. In contrast, both PTT and PAT demonstrate moderate negative correlations with age and BMI, supporting their relevance as noninvasive indicators of vascular aging. Additionally, PAT exhibits a significant sex-based difference, highlighting physiological disparities between male and female cardiovascular systems. Overall, the proposed fusion-based approach demonstrates technical feasibility and clinical potential for scalable, preventive cardiovascular healthcare, enabling early risk detection, continuous at-home monitoring, and improved long-term health management.