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Background: Amyloid β (Aβ) fibril agglomeration is crucial in Alzheimer’s disease (AD) etiology, leading to significant harm to the central nervous system. Polyphenols have been investigated for their capacity to hinder Aβ agglomeration. Objective: This investigation aimed to assess the potential of Ajwa date palm (Phoenix dactylifera)-based bioactives in binding and disrupting resilient Aβ1-42 fibrils through in-silico studies. Methods: The primary phytochemicals present in date palms were subjected to molecular docking with three different conformers of Aβ1-42 and Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) analysis. The stability of the system was assessed through molecular dynamics (MD) simulation. Results: It was noted that Diosmetin, Rutin, and Genistein effectively bind with 2BEG, 2MXU, and 2NAO fibrils, respectively, with docking energies ranging from −7.2 to −8.2 kcal/mol. Diosmetin, Rutin, and Genistein show notable pharmacokinetic variability, with LogP values from −1.69–2.58, with 1–6 rotatable bonds, and total polar surface areas (TPSA) between 112.52 and 240.90 Å2, characteristics important for drug candidacy evaluation. Their ADMET properties include solubility values of −3.238 to −3.595 mol/L, intestinal absorption of 23.4–93.4%, and VDss ranging from 0.094 to 1.663 L/kg. The ensuing MS simulations spanning 100 ns, illuminated the establishment of a robust peptide-chemical complex. Hydrophobic interactions, ionic and hydrogen bonds play a critical role in the ligand binding with their respective targets. Conclusions: These findings underscore the potential of these botanicals as leads for developing potent Aβ agglomeration inhibitors. However, before introducing into clinical settings, these findings need to be validated further.

Tumor-associated macrophages (TAMs) promote tumor advancement in many ways, such as inducing angiogenesis and the formation of new blood vessels that provide tumors with nourishment and oxygen. TAMs also facilitate tumor invasion and metastasis by secreting enzymes that degrade the extracellular matrix and generating pro-inflammatory cytokines that enhance the migration of tumor cells. TAMs also have a role in inhibiting the immune response against malignancies. To accomplish this, they release immunosuppressive cytokines such as IL-10, and TAMs can hinder the function of T cells and natural killer cells, which play crucial roles in the immune system's ability to combat cancer. The role of TAMs in breast cancer advancement is a complex and dynamic field of research. Therefore, TAMs are a highly favorable focus for innovative breast cancer treatments. This review presents an extensive overview of the correlation between TAMs and breast cancer development as well as its role in the tumor microenvironment (TME) shedding light on their impact on tumor advancement and immune evasion mechanisms. Notably, our study provides an innovative approach to employing nanomedicine approaches for targeted TAM therapy in breast cancer, providing an in-depth overview of recent advances in this emerging field.

l-Tryptophan derived Schiff base ligand and its complexes of the type, [ML(H2O)2]·H2O [M = Co(II), Ni(II), Zn(II)] and [CuL] have been synthesized and characterized on the basis of results obtained from elemental analysis, conductivity measurements, ESI-Mass spectral studies, FT-IR, 1H and 13C NMR, UV–Vis spectroscopy and magnetic moment data. The synthesized complexes were subjected to thermogravimetric analysis to study their decomposition pattern and stability. The fluorescence and viscosity measurements reveal that complexes have significant CT-DNA binding. However, upon comparing the DNA binding analyses, Cu(II) complex exhibited significant binding affinity. Keywords: l-Tryptophan based Schiff base complexes, Spectroscopic studies, DNA-binding