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Ferulic acid (4-hydroxy-3-methoxycinnamic acid) is a phytochemical compound that is commonly found in conjugated forms within mono-, di-, polysaccharides and other organic compounds in cell walls of grain, fruits, and vegetables. This compound is highly abundant in the palm oil waste. The aim of the study was to predict the anticancer activity of ferulic acid against the breast cancer cell lines (MCF-7) receptors through a computational analysis. MCF-7 receptors with PDB IDs of 1R5K, 2IOG, 4IV2, 4IW6, 5DUE, 5T92, and 5U2B were selected based on the Simplified Molecular Input Line Entry System (SMILES) similarity of the native ligand. Thereafter, the protein was prepared on Chimera 1.16 and docked with ferulic acid on Autodock Vina 1.2.5. The ligand-protein complex interaction was validated by computing the root mean square fluctuation (RMSF) and radius of gyration (Rg) through molecular dynamic simulation. In addition, an absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction was performed on ferulic acid using the pkCSM platform. The molecular docking revealed that the ferulic acid could interact with all receptors as indicated by the affinity energy <-5 kcal/mol. The compound had the most optimum interaction with receptor 2IOG (affinity energy=-6.96 kcal/mol), involving hydrophobic interaction (n=12) and polar hydrogen interaction (n=4). The molecular dynamic simulation revealed that the complex had an RMSF of 1.713 Å with a fluctuation of Rg value around 1.000 Å. The ADMET properties of ferulic acid suggested that the compound is an ideal drug candidate. In conclusion, this study suggested that ferulic acid, which can be isolated from palm oil waste, has the potential to interact with MCF-7 receptors., Competing Interests: All the authors declare that there are no conflicts of interest in any capacity, including competing or financial., (© 2024 The Author(s).)

This work represents a study to investigate the mechanical properties of longitudinal basalt/woven-glass-fiber-reinforced unsaturated polyester-resin hybrid composites. The hybridization of basalt and glass fiber enhanced the mechanical properties of hybrid composites. The unsaturated polyester resin (UP), basalt (B) and glass fibers (GF) were fabricated using the hand lay-up method in six formulations (UP, GF, B7.5/G22.5, B15/G15, B22.5/G7.5 and B) to produce the composites, respectively. This study showed that the addition of basalt to glass-fiber-reinforced unsaturated polyester resin increased its density, tensile and flexural properties. The tensile strength of the B22.5/G7.5 hybrid composites increased by 213.92 MPa compared to neat UP, which was 8.14 MPa. Scanning electron microscopy analysis was used to observe the fracture mode and fiber pullout of the hybrid composites.