Exploring Small-Scale Library-Based Biopolymer Docking Simulation for Future Cosmetic Material Innovation
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Epidermis and hair serve as the human body's outermost barrier, crucial for both vital processes and aesthetic enhancement. With the increasing focus on bio-cosmetics, materials science is intensifying efforts to uncover the effects of substances derived from bio-processes or mimicking human metabolites. Prominent biomimetic components, such as peptides and nucleic acids, offer diverse applications based on their targets and exhibit nearly infinite combinations due to their varying lengths and arrangements. A library of biopolymers was used in docking simulations to predict improvements in epidermal cells and hair performance. High-ranking sequences were synthesized to verify their efficacy in target functions. Peptides that enhance hair tensile strength lack bending structures and include cationic or penetrative amino acids. Nucleic acids in specific length and sequence mediate skin characteristics. The docking simulations were correlated with the results of cell experiments.