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Introduction: Soybean is a rich source of bioactive components with good nutritional support and is easily available. In the treatment of cancer, green synthesis of silver nanoparticles (AgNPs) from plant-based samples has gained attentions due to its potency and feasibility. In the present study, using soybean extracts (GM), silver nanoparticles are synthesized and analyzed for their anticancer potency. Methods: The synthesized GM-AgNPs were characterized via UV-Vis spectroscopy, Fourier transform-infrared (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energydispersive X-ray (EDX) techniques for further analysis. Antibacterial activity was evaluated using the disc method and anti-hemolysis activity using the in vitro method, followed by anticancer property evaluation by cytotoxicity, cell migration, apoptosis, and cell cycle. Results and discussion: Our results showed that the synthesized GM-AgNPs were spiral-shaped with a size range of 5-50 nm. The antibacterial activity against Staphylococcus aureus and Klebsiella pneumoniae showed the maximum zone of inhibition at 250 μg/mL in comparison with gentamicin. On exploring the antihemolysis efficiency, at 200 μg/mL, GM-AgNPs showed no hemolysis in comparison to the extract which showed 40% hemolysis. On analysis of GMAgNPs against the breast cancer cell line, the nanoparticles displayed the IC50 value of 74.04 μg/mL. Furthermore, at the IC50 concentration, cancer cell migration was reduced. The mechanism of action of GM-AgNPs confirmed the initiation of apoptosis and cell cycle arrest in the sub-G0/G1 (growth phase) phase by 48.19%. In gene expression and protein expression analyses, Bax and Bcl2 were altered to those of normal physiology. [ABSTRACT FROM AUTHOR]

Cancer remains a significant global health challenge, prompting exploration into alternative treatments such as those derived from natural compounds found in traditional medicine. Recent research has underscored the role of proteins like Focal Adhesion Kinase (FAK), Vascular Endothelial Growth Factor (VEGF), and Metastasis-Associated Protein 1 (MTA1) in driving cancer cell proliferation and survival. Here, we investigated the potential of a single molecule to modulate these key proteins involved in metastasis, offering a promising avenue for cancer therapy. Terminalia elliptica, commonly known as Asna, possesses a diverse range of medicinal properties, including antimicrobial, anti-inflammatory, anticancer, antidiabetic, antiaging, hepatoprotective, antioxidant, and neuroprotective activities. Our study aimed to explore the anticancer potential of Terminalia elliptica by identifying bioactive compounds capable of targeting FAK, VEGF, and MTA1 to impede cancer metastasis. Through in silico analysis, we conducted network analysis using Cytoscape to assess the significance of these bioactive compounds in the inhibition of signaling pathways driving metastasis. The utilization of these bioactives as potential candidates for targeted therapy of VEGF, FAK, and MTA1 regulated pathways was preliminarily assessed by Molecular Docking and MD Simulation. Our findings revealed that phytobioactives namely, Chebulinic Acid of Terminalia elliptica, exhibited notable binding affinity and interaction with FAK, and Chebulagic Acid with VEGF, and MTA1. This discovery holds promise as a novel therapeutic approach for combating cancer, offering potential benefits in cancer treatment and management. [ABSTRACT FROM AUTHOR]

Filamentous Fungal Human Pathogens (FFHPs) such as Aspergillus fumigatus, are growing resistant to currently available antifungal drugs. One possible target, the Nucleoside diphosphate kinase (Ndk) is significant for nucleotide biosynthesis and crucial for fungal metabolism. Violacein, a natural food colorant, was examined for its antifungal effects against Aspergillus fumigatus via computational approach against the Ndk protein. Known and predicted interactions of Ndk with proteins was performed using the STRING application. Molecular docking was performed using Schrodinger Maestro software (V.14.1) under enhanced precision docking, with OPLS4 forcefield. MDS was performed for 500ns under OPLS4 forcefield and the TIP3P solvent system. The geometry optimization for DFT was performed using the Becke 3-parameter exchange functional (B3LYP) method. The Molecular Docking Studies revealed significant interactions with good binding energy between Violacein and Ndk. Subsequent MD Simulations confirmed the stability of Violacein-Ndk complex, compared to the reference ligand-complex, indicating a stable interaction between the protein and violacein. The energy band gap of violacein was found to be 0.072567 eV suggesting its softness with lower kinetic stability and higher chemical reactivity. The results suggest Violacein could potentially disrupt nucleotide metabolism by targeting Ndk, thus demonstrating antifungal activity. However, further experimental validation is required to confirm these computational findings and explore the practical use of Violacein in antifungal treatments., Competing Interests: Declarations. Competing interests: The authors declare no competing interests., (© 2024. The Author(s).)