Ligand structures—CNT-NH2 (DDS1) and its hyaluronic acid conjugate CNT-NH2-HA (DDS2)—were energy-minimized with the MMFF94 force field, converted to PDBQT, and docked against four protein targets that probe systemic transport and cancer relevance: human serum albumin (1POZ), androgen-receptor LBD (4LRH), matrix-metalloproteinase-9 (4MRD), and the CD44 hyaluronan-binding domain (4PZ3). Here, MMP9 is linked to cancer.