Molecular Insights into AG73@Syndecan-4 Interactions: Implications for Cancer Cell Adhesion, Migration, and Therapeutic Potential
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Syndecan-4 is widely expressed across tissues and is particularly relevant in cancer, where it modulates cell adhesion, invasion, and metastasis. The AG73 peptide is known to interact with syndecans, influencing cell adhesion and migration. In this study, we employed molecular docking and dynamics simulations to investigate the interaction between AG73 and Syndecan-4 cytoplasmic domain. Our findings suggest that AG73 binds to Syndecan-4 through hydrogen bonding and electrostatic interactions, stabilizing its structure and potentially enhancing PKCα activation. Pharmacokinetic and ADMET predictions indicate that AG73 has poor oral bioavailability but could be optimized through alternative delivery strategies. These insights contribute to a better understanding of Syndecan-4-mediated signaling in cancer and highlight AG73 as a potential modulator for therapeutic applications.
